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Bazedoxifene

CAT: 1299-RM-B010400-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B010400-02Size:25 mg
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CAS Number
198481-32-2
Synonyms
1- (4- (2- (azepan-1-yl) ethoxy) benzyl) -2- (4-hydroxyphenyl) -3-methyl-1H-indol-5-ol
Molecular Formula
C30H34N2O3
Molecular Weight
470.6
Target Alternative Name
Bazedoxifene
Product Name Synonym
1- (4- (2- (azepan-1-yl) ethoxy) benzyl) -2- (4-hydroxyphenyl) -3-methyl-1H-indol-5-ol

Chemical Information

Bazedoxifene

Bazedoxifene is a phenylindole.

CAS Number198481-32-2
PubChem CID154257
IUPAC Name1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
Molecular FormulaC30H34N2O3
Molecular Weight470.6
XLogP6.1
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity623
SMILES
CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O
InChI
InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
InChIKey
UCJGJABZCDBEDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bazedoxifene
CAS: 198481-32-2
CID: 154257
Formula: C30H34N2O3
MW: 470.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass470.25694295
Monoisotopic Mass470.25694295
Topological Polar Surface Area57.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-A0031-01Bazedoxifene
A3233-5Bazedoxifene acetate
B1519-50Bazedoxifene HCl
HY-A0031S-01Bazedoxifene-d4

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