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

CAS: 637750-70-0 Cat. No.: E668563 Molecular Weight: 312.3 PubChem CID: 889459
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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
Storage
Room temperature
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1mg
E668563-1mg
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$571.90

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5mg
E668563-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
Storage
Room temperature
Product Properties
ALogP3.6
Names and Identifiers
Canonical SmilesCCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC
IUPAC Name3-(2-ethoxyphenoxy)-7-methoxychromen-4-one
InChIKeyKKYRVIUNXHOMFK-UHFFFAOYSA-N
INCHI1S/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
Isomeric SMILES CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC
PubChem CID 889459
Molecular Weight 312.3

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzopyrans
Subclass1-benzopyrans
Intermediate Tree Nodes Not available
Direct ParentChromones
Alternative Parents Diarylethers  Phenoxy compounds  Anisoles  Pyranones and derivatives  Alkyl aryl ethers  Heteroaromatic compounds  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescriptionThis compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
microRNA 21 (64692 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight312.300 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass312.1 Da
Monoisotopic Mass312.1 Da
Topological Polar Surface Area54.000 Ų
Heavy Atom Count23
Formal Charge0
Complexity447.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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