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Desoxyrhapontigenin

Desoxyrhapontigenin structure

CAS No:
33626-08-3
Formula:
C15H14O3
Chemical Name:
Desoxyrhapontigenin
Synonyms:
1,3-Benzenediol,5-[(1E)-2-(4-methoxyphenyl)ethenyl]-;1,3-Benzenediol,5-[2-(4-methoxyphenyl)ethenyl]-,(E)-;3,5-Stilbenediol,4′-methoxy-,(E)-;5-[(1E)-2-(4-Methoxyphenyl)ethenyl]-1,3-benzenediol;Desoxyrhapontigenin;(E)-3,5-Dihydroxy-4′-methoxystilbene;4-Methoxyresveratrol;BML 233;trans-3,5-Dihydroxy-4′-methoxystilbene;3,5-Dihydroxy-4′-methoxy-trans-stilbene;Resveratrol 4′-methyl ether;Deoxyrhapontigenin;4′-O-Methylresveratrol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

5-[2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol is a stilbenoid.

Desoxyrhapontigenin Basic Attributes

Molecular Weight：

242.27

Exact Mass：

242.27

EC Number：

1312995-182-4

Characteristics

PSA：

49.69000

XLogP3：

3.27680

Density：

1.252

Melting Point：

158-166 °C

Boiling Point：

446.5±14.0 °C(Predicted)

Flash Point：

223.8ºC

Refractive Index：

1.691

PKA：

9.19±0.10

Collision Cross Section：

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

Drug Information

MeSH Entry Terms：

4'-methoxyresveratrol

Desoxyrhapontigenin Use and Manufacturing

4'-O-Methylresveratrol is an impurity of resveratrol (R150000), an anticancer agent that has been shown to inhibit events associated with tumor initiation, promotion and progression.

Computed Properties

Molecular Weight:242.27
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:242.094294304
Monoisotopic Mass:242.094294304
Topological Polar Surface Area:49.7
Heavy Atom Count:18
Complexity:259
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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