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2,6-Bis(4-fluorobenzylidene)cyclohexanone - >96.0%(HPLC), high purity , CAS No.62085-74-9

COA COA
    Grade & Purity:
  • ≥96%(HPLC)
In stock
Item Number
B152264
Grouped product items
SKU Size
Availability
 Price Qty
B152264-1g
1g
5
$24.90
B152264-5g
5g
4
$93.90
B152264-25g
25g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$279.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms (2E,6E)-2,6-bis(4-fluorobenzylidene)cyclohexanone | NSC632830 | NSC-632830 | 2,6-bis-(4-Fluorobenzylidene)cyclohexanone | 2,6-Bis(4-fluorobenzylidene)cyclohexanone | AKOS001030473 | (2E,6E)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one | 6R-0035 |
Specifications & Purity ≥96%(HPLC)
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Diarylheptanoids
Subclass Linear diarylheptanoids
Intermediate Tree Nodes Not available
Direct Parent Linear diarylheptanoids
Alternative Parents Fluorobenzenes  Aryl fluorides  Cyclic ketones  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Linear 1,7-diphenylheptane skeleton - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors Not available

Associated Targets(Human)

HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
TYR Tclin Tyrosinase (717 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HSD17B3 Tchem Estradiol 17-beta-dehydrogenase 3 (821 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BGC-823 (3035 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HL-60 (67320 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PANC-1 (6144 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KB (17409 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CNE (323 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mycobacterium tuberculosis (203094 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Aspergillus fumigatus (16427 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Candida albicans (78123 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Candida parapsilosis (8521 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Leishmania amazonensis (3813 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
J774.A1 (2436 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAW264.7 (28094 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Vero (26788 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hsd17b3 Testosterone 17-beta-dehydrogenase 3 (232 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488191966
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191966
IUPAC Name (2E,6E)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
INCHI InChI=1S/C20H16F2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12+,17-13+
InChIKey STPNBQOTKFPYEG-UNZYHPAISA-N
Smiles C1CC(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)C1
Isomeric SMILES C1C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C/C3=CC=C(C=C3)F)/C1
Molecular Weight 310.34
Beilstein 7(4)1800
Reaxy-Rn 9788635
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9788635&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
J2214527 Certificate of Analysis Jun 21, 2022 B152264
E2330080 Certificate of Analysis Jun 21, 2022 B152264
J2214528 Certificate of Analysis Jun 21, 2022 B152264
J2214479 Certificate of Analysis Jun 21, 2022 B152264

Chemical and Physical Properties

Molecular Weight 310.300 g/mol
XLogP3 5.300
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 310.117 Da
Monoisotopic Mass 310.117 Da
Topological Polar Surface Area 17.100 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 436.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 2
Covalently-Bonded Unit Count 1

Solution Calculators

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