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BHPI

CAT: 1410-M15059-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M15059-03Size:100 mg
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Description
BHPI is a potent, noncompetitive small molecule ERα inhibitor.
CAS Number
56632-39-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
331.3646
Molecular Formula
C21H17NO3
Notes
Research use only, not for human use.
Receptor
Estrogen Receptor/ERR

Chemical Information

3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one

an estrogen receptor alpha inhibitor

CAS Number56632-39-4
PubChem CID3860640
IUPAC Name3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
Molecular FormulaC21H17NO3
Molecular Weight331.4
XLogP3.6
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity469
SMILES
CC1=C2C(=CC=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
InChIKey
FABLAHMQSQFDHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one
CAS: 56632-39-4
CID: 3860640
Formula: C21H17NO3
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass331.12084340
Monoisotopic Mass331.12084340
Topological Polar Surface Area69.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity469
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
MBS131261-01BHPI
6116/50BHPI 50 mg
6116/10BHPI 10 mg

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