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

CAS: 137988-21-7 Cat. No.: W421435 Summenformel: C₁₉H₁₄O₇ Molekulargewicht: 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

Übersicht

hypolipidemic activity

Specifications

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

2.275

Rotationsfähige Bindung

6

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)OC

PubChem CID

1778908

Molekulargewicht

354.31

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 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