Bisphenol B

CAT: 0013-GTR19169576-05Size: 25 gDry Ice: NoHazardous: No

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CAT#:0013-GTR19169576-05Size:25 g

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Description

Bisphenol B is an estrogen receptor ligand suitable for endocrine disruption research. It is used in both in vitro receptor binding assays and in vivo studies to investigate the effects of environmental estrogens.

CAS Number

77-40-7

Product Name Alternative

Bisphenol B, ERR, estrogen receptor, Estrogen Receptor, EstrogenReceptor

Field of Research

Immunology & Inflammation, Metabolism Research

Purity

≥95% (May vary between batches)

Solubility

DMSO:22.5 mg/mL (92.86 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (8.25 mM)

Smiles

C (CC) (C) (C1=CC=C (O) C=C1) C2=CC=C (O) C=C2

Molecular Formula

C16H18O2

Molecular Weight

242.31

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Bisphenol B

Bisphenol B is a bisphenol.

CAS Number	77-40-7
PubChem CID	66166
IUPAC Name	4-[2-(4-hydroxyphenyl)butan-2-yl]phenol
Molecular Formula	C16H18O2
Molecular Weight	242.31
XLogP	3.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	226

SMILES

CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3

InChIKey

HTVITOHKHWFJKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77-40-7

CID: 66166

Formula: C16H18O2

MW: 242.31

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	242.31
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	242.130679813
Monoisotopic Mass	242.130679813
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	226
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Bisphenol B

Chemical Information

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