WYE-176041 - 10mM in DMSO , CAS No.137988-21-7

CAS: 137988-21-7 Cat. No.: W421435 Formula: C₁₉H₁₄O₇ Peso molecolare: 354.31 PubChem CID: 1778908

GRADE & PURITY 10mM in DMSO

Synonyms

137988-21-7|Benzoic acid, 4-((7-(acetyloxy)-4-oxo-4H-1-benzopyran-3-yl)-oxy)-, methyl ester|methyl 4-((7-acetoxy-4-oxo-4H-chromen-3-yl)oxy)benzoate|BRN 5454028|Methyl 4-((7-(acetyloxy)-4-oxo-4H-1-benzopyran-3-yl)-oxy)benzoate|Oprea1_446845|SCHEMBL18550613

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

hypolipidemic activity

Specifications

Sinonimi

137988-21-7 | Benzoic acid, 4-((7-(acetyloxy)-4-oxo-4H-1-benzopyran-3-yl)-oxy)-, methyl ester | methyl 4-((7-acetoxy-4-oxo-4H-chromen-3-yl)oxy)benzoate | BRN 5454028 | Methyl 4-((7-(acetyloxy)-4-oxo-4H-1-benzopyran-3-yl)-oxy)benzoate | Oprea1_446845 | SCHEMBL18550613

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

• ALogP: 2.275
• Legame rotabile: 6

Nomi e identificatori

• Sorrisi canonici: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)OC
• IUPAC Name: methyl 4-(7-acetyloxy-4-oxochromen-3-yl)oxybenzoate
• InChIKey: WIKLVWCKOMIMAW-UHFFFAOYSA-N
• INCHI: 1S/C19H14O7/c1-11(20)25-14-7-8-15-16(9-14)24-10-17(18(15)21)26-13-5-3-12(4-6-13)19(22)23-2/h3-10H,1-2H3
• Isomeri SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)OC
• PubChem CID: 1778908
• Peso molecolare: 354.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Diarylethers Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Pyranones and derivatives Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 354.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 354.074 Da
• Monoisotopic Mass: 354.074 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 589.000
• 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