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3-(2-ethoxyphenoxy)-7-methoxy-4H-chromen-4-one , CAS No.637750-70-0

COA COA
In stock
Item Number
E668563
Grouped product items
SKU Size
Availability
 Price Qty
E668563-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
E668563-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms 3-(2-ethoxyphenoxy)-7-methoxy-4H-chromen-4-one | 3-(2-ethoxyphenoxy)-7-methoxychromen-4-one | SMR000142614 | MLS000535178 | HMS2319K06 | STK922954 | AKOS002181397 | NCGC00316873-01 | AB00317717-09 | SR-01000260838 | SR-01000260838-1 | F3139-1667 | Z374512

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Benzopyrans
Subclass 1-benzopyrans
Intermediate Tree Nodes Not available
Direct Parent Chromones
Alternative Parents Diarylethers  Phenoxy compounds  Anisoles  Pyranones and derivatives  Alkyl aryl ethers  Heteroaromatic compounds  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Chromone - Diaryl ether - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors Not available

Product Properties

ALogP 3.6

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 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
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
microRNA 21 (64692 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 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

IUPAC Name 3-(2-ethoxyphenoxy)-7-methoxychromen-4-one
INCHI InChI=1S/C18H16O5/c1-3-21-14-6-4-5-7-15(14)23-17-11-22-16-10-12(20-2)8-9-13(16)18(17)19/h4-11H,3H2,1-2H3
InChIKey KKYRVIUNXHOMFK-UHFFFAOYSA-N
Smiles CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC
Isomeric SMILES CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC
PubChem CID 889459
Molecular Weight 312.3

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

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

Chemical and Physical Properties

Molecular Weight 312.300 g/mol
XLogP3 3.600
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 312.1 Da
Monoisotopic Mass 312.1 Da
Topological Polar Surface Area 54.000 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 447.000
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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