6,2',4'-Trimethoxyflavone - ≥97%(HPLC) , CAS No.720675-74-1

CAS: 720675-74-1 Cat. No.: T288163 Fórmula: C₁₈H₁₆O₅ Peso molecular: 312.32 Número CE: 836-841-2 PubChem CID: 688802

GRADE & PURITY ≥97%(HPLC)

Synonyms

2',4',6-trimethoxyflavone | BDBM93448 | ST057638 | FT-0750678 | HY-103220 | AKOS024282698 | Flavonid, 6[4,2] | 2-(2,4-dimethoxyphenyl)-6-methoxy-4H-chromen-4-one | PD001171 | MS-24550 | SCHEMBL4915794 | WUWFDVDASNSUKP-UHFFFAOYSA-N | 2-(2,4-Dimethoxyphenyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

2',4',6-trimethoxyflavone | BDBM93448 | ST057638 | FT-0750678 | HY-103220 | AKOS024282698 | Flavonid, 6[4,2] | 2-(2,4-dimethoxyphenyl)-6-methoxy-4H-chromen-4-one | PD001171 | MS-24550 | SCHEMBL4915794 | WUWFDVDASNSUKP-UHFFFAOYSA-N | 2-(2,4-Dimethoxyphenyl

Especificações e pureza

≥97%(HPLC)

Mecanismos bioquímicos e fisiológicos

Aryl hydrocarbon receptor antagonist (EC50= 0.9μM). Exhibits no short term agonist activity and no species or promoter dependence.

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Tipo de ação

ANTAGONIST

Pureza

≥97%(HPLC)

Nomes e identificadores

Pubchem Sid

488191133

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191133

Sorrisos canónicos

COC1=CC2=C(C=C1)OC(=CC2=O)C3=C(C=C(C=C3)OC)OC

IUPAC Name

2-(2,4-dimethoxyphenyl)-6-methoxychromen-4-one

InChIKey

WUWFDVDASNSUKP-UHFFFAOYSA-N

INCHI

1S/C18H16O5/c1-20-11-5-7-16-14(8-11)15(19)10-18(23-16)13-6-4-12(21-2)9-17(13)22-3/h4-10H,1-3H3

SMILES isoméricas

COC1=CC2=C(C=C1)OC(=CC2=O)C3=C(C=C(C=C3)OC)OC

PubChem CID

688802

Peso molecular

312.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-O-methylated flavonoids
• Alternative Parents: 4'-O-methylated flavonoids 2'-O-methylated flavonoids Flavones Chromones Dimethoxybenzenes Phenoxy compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 6-methoxyflavonoid-skeleton - Flavone - Chromone - Benzopyran - M-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone.
• 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

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 1.56, Max Conc. mM: 5 with gentle warming
• Peso molecular: 312.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 312.1 Da
• Monoisotopic Mass: 312.1 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 460.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 720675-74-1, the molecular formula is C18H16O5, and the molecular weight is 312.32 g/mol. InChIKey WUWFDVDASNSUKP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.