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3,7-Dihydroxyflavone

3,7-Dihydroxyflavone structure

CAS No:
492-00-2
Formula:
C15H10O4
Chemical Name:
3,7-Dihydroxyflavone
Synonyms:
4H-1-Benzopyran-4-one,3,7-dihydroxy-2-phenyl-;Flavone,3,7-dihydroxy-;3,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one;5-Deoxygalangin;Resogalangin;3,7-Dihydroxyflavone;7-Hydroxyflavonol;3,7-Dihydroxy-2-phenylchromen-4-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

3,7-dihydroxy-2-phenyl-1-benzopyran-4-one is a hydroxyflavan.

3,7-Dihydroxyflavone Basic Attributes

Molecular Weight：

254.24

Exact Mass：

254.24

UNII：

O948D0K9BQ

DSSTox ID：

DTXSID80197705

Characteristics

PSA：

66.8

XLogP3：

2.87120

Density：

1.443g/cm3

Melting Point：

257-259°C

Boiling Point：

495.3ºC at 760 mmHg

Flash Point：

193.9ºC

Refractive Index：

1.698

Collision Cross Section：

152.1 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Drug Information

Metabolism/Metabolites：

3,7-Dihydroxyfavone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(3-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid and (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(7-hydroxy-4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid.

MeSH Entry Terms：

3,7-dihydroxyflavone

3,7-Dihydroxyflavone Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Computed Properties

Molecular Weight:254.24
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:254.05790880
Monoisotopic Mass:254.05790880
Topological Polar Surface Area:66.8
Heavy Atom Count:19
Complexity:395
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes