7-ethoxy-2-methyl-3-phenoxy-4H-chromen-4-one , CAS No.299950-52-0

CAS: 299950-52-0 Cat. No.: E668510 Molecular Weight: 296.3
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Synonyms
7-ethoxy-2-methyl-3-phenoxy-4H-chromen-4-one | MLS000532507 | Oprea1_667946 | HMS2166A15 | HMS3320F02 | STK829527 | AKOS002708314 | NCGC00315631-01 | SMR000137446 | AB00452380-07 | SR-01000207279 | SR-01000207279-1 | Z57122499
Storage
Room temperature
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Price
Qty
1mg
E668510-1mg
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$571.90

$999.90
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5mg
E668510-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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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
7-ethoxy-2-methyl-3-phenoxy-4H-chromen-4-one | MLS000532507 | Oprea1_667946 | HMS2166A15 | HMS3320F02 | STK829527 | AKOS002708314 | NCGC00315631-01 | SMR000137446 | AB00452380-07 | SR-01000207279 | SR-01000207279-1 | Z57122499
Storage
Room temperature
Product Properties
ALogP3.9
Names and Identifiers
Canonical SmilesCCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C)OC3=CC=CC=C3
IUPAC Name7-ethoxy-2-methyl-3-phenoxychromen-4-one
InChIKeyROYUOWKZRVTOEX-UHFFFAOYSA-N
INCHI1S/C18H16O4/c1-3-20-14-9-10-15-16(11-14)21-12(2)18(17(15)19)22-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
Isomeric SMILES CCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C)OC3=CC=CC=C3
Molecular Weight 296.3
Reaxy-Rn 9857184
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9857184&ln=

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  Phenol ethers  Pyranones and derivatives  Alkyl aryl ethers  Heteroaromatic compounds  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Chromone - Diaryl ether - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Ether - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - 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)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2C9 Tchem Cytochrome P450 2C9 (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
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 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
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EYA2 Tbio Eyes absent homolog 2 (5884 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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 Weight296.300 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass296.105 Da
Monoisotopic Mass296.105 Da
Topological Polar Surface Area44.800 Ų
Heavy Atom Count22
Formal Charge0
Complexity436.000
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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