WAY-344282 - ≥95% , CAS No.242133-74-0

CAS: 242133-74-0 Cat. No.: W417464 Fórmula: C₂₄H₁₈O₅ Peso molecular: 386.40 PubChem CID: 987900

GRADE & PURITY ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

antimicrobial activities

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Propriedades do produto

ALogP

4.601

Ligação rotativa

6

Nomes e identificadores

Pubchem Sid

504760356

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760356

Sorrisos canónicos

COC1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4

IUPAC Name

7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-phenylchromen-2-one

InChIKey

MWZVXDCUDZWDIQ-UHFFFAOYSA-N

INCHI

1S/C24H18O5/c1-27-18-9-7-17(8-10-18)22(25)15-28-19-11-12-20-21(16-5-3-2-4-6-16)14-24(26)29-23(20)13-19/h2-14H,15H2,1H3

SMILES isoméricas

COC1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4

PubChem CID

987900

Peso molecular

386.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Neoflavonoids
      • Subclass Neoflavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Neoflavonoids
• Subclass: Neoflavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Neoflavones
• Alternative Parents: Alkyl-phenylketones Coumarins and derivatives 1-benzopyrans Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylcoumarin - Alkyl-phenylketone - Coumarin - Benzopyran - 1-benzopyran - Phenylketone - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.
• 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 386.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 386.115 Da
• Monoisotopic Mass: 386.115 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 613.000
• 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