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1,3-Bis(4-methoxyphenyl)-1,3-propanedione - 98%, high purity , CAS No.18362-51-1

    Grade & Purity:
  • ≥98%
In stock
Item Number
B121529
Grouped product items
SKU Size
Availability
Price Qty
B121529-1g
1g
2
$39.90
B121529-5g
5g
3
$150.90
B121529-25g
25g
3
$450.90

Basic Description

Synonyms FT-0637679 | EINECS 242-233-2 | J-011764 | MFCD00025817 | SR-01000195521 | 1,3-Propanedione, 1,3-bis(p-methoxyphenyl)- | AM20030212 | AC-27905 | AE-848/30689062 | dianisoylmethan | (E)-ethyl cinnamate | AB00073862-01 | MLS001163123 | AKOS005429071 | DI(P-
Specifications & Purity ≥98%
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Linear 1,3-diarylpropanoids
Subclass Chalcones and dihydrochalcones
Intermediate Tree Nodes Not available
Direct Parent Retro-dihydrochalcones
Alternative Parents Alkyl-phenylketones  Butyrophenones  Phenoxy compounds  Methoxybenzenes  Benzoyl derivatives  Aryl alkyl ketones  Anisoles  Beta-diketones  Alkyl aryl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Aryl ketone - Phenoxy compound - Alkyl aryl ether - 1,3-diketone - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Ketone - Ether - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors Not available

Associated Targets(Human)

POLI Tchem DNA polymerase iota (116820 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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 504755891
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504755891
IUPAC Name 1,3-bis(4-methoxyphenyl)propane-1,3-dione
INCHI InChI=1S/C17H16O4/c1-20-14-7-3-12(4-8-14)16(18)11-17(19)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3
InChIKey GNMDORSUZRRMFS-UHFFFAOYSA-N
Smiles COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC
Isomeric SMILES COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC
WGK Germany 3
Molecular Weight 284.31
Reaxy-Rn 1887085
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1887085&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.

5 results found

Lot Number Certificate Type Date Item
H2203262 Certificate of Analysis May 12, 2025 B121529
H2203261 Certificate of Analysis May 12, 2025 B121529
G2113075 Certificate of Analysis Apr 07, 2024 B121529
A1520083 Certificate of Analysis Nov 20, 2023 B121529
E2019045 Certificate of Analysis Mar 09, 2023 B121529

Chemical and Physical Properties

Melt Point(°C) 116 °C
Molecular Weight 284.310 g/mol
XLogP3 3.100
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 284.105 Da
Monoisotopic Mass 284.105 Da
Topological Polar Surface Area 52.600 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 316.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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