2-(5-Methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetic acid , CAS No.664366-11-4

CAS: 664366-11-4 Cat. No.: M668574 Peso molecular: 334.3 PubChem CID: 906840
Disponible para pedir
Synonyms
(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetic acid | 7H-Furo[3,2-g][1]benzopyran-6-acetic acid, 5-methyl-7-oxo-3-phenyl- | 2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetic acid | MLS001164960 | HMS2868F05 | BDBM50367291 | MFCD03661684
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
M668574-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
M668574-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (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

Sinónimos
(5-methyl-7-oxo-3-phenyl-7H-furo[3, 2-g]chromen-6-yl)acetic acid | 7H-Furo[3, 2-g][1]benzopyran-6-acetic acid, 5-methyl-7-oxo-3-phenyl- | 2-(5-methyl-7-oxo-3-phenylfuro[3, 2-g]chromen-6-yl)acetic acid | MLS001164960 | HMS2868F05 | BDBM50367291 | MFCD03661684
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP3.3
Nombres e identificadores
Sonrisas canónicasCC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=CC=C4)CC(=O)O
IUPAC Name2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetic acid
InChIKeyIQWQGQREZKOSCN-UHFFFAOYSA-N
INCHI1S/C20H14O5/c1-11-13-7-15-16(12-5-3-2-4-6-12)10-24-17(15)9-18(13)25-20(23)14(11)8-19(21)22/h2-7,9-10H,8H2,1H3,(H,21,22)
Isómeros SMILES CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=CC=C4)CC(=O)O
PubChem CID 906840
Peso molecular 334.3

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseBenzofurans
SubclassPhenylbenzofurans
Intermediate Tree Nodes Not available
Direct ParentPhenylbenzofurans
Alternative Parents Psoralens  1-benzopyrans  Pyranones and derivatives  Benzene and substituted derivatives  Heteroaromatic compounds  Furans  Lactones  Oxacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylbenzofuran - Furanocoumarin - Linear furanocoumarin - Psoralen - Coumarin - Benzopyran - 1-benzopyran - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CA12 Tclin Carbonic anhydrase 12 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA9 Tclin Carbonic anhydrase 9 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular334.300 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass334.084 Da
Monoisotopic Mass334.084 Da
Topological Polar Surface Area76.700 Ų
Heavy Atom Count25
Formal Charge0
Complexity589.000
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
Calculadoras de soluciones
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