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Bicalutamide

CAT: 1568-C16174-02Size: 100 mgDry Ice: YesHazardous: No
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CAT#:1568-C16174-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90357-06-5
Synonyms
ICI-176334
SKU
C16174-100mg
Target
Androgen Receptor
Applications
Endocrinology & Hormones
Smiles
CC (CS (=O) (=O) C1=CC=C (C=C1) F) (C (=O) NC2=CC (=C (C=C2) C#N) C (F) (F) F) O
Molecular Formula
C18H14F4N2O4S
Additionnal Information
Bicalutamide is an androgen receptor (AR) antagonist with IC50 of 0.16 μM in LNCaP/AR (cs) cell line. Bicalutamide promotes autophagy.
Storage Conditions
2 years -80 in solvent

Chemical Information

Bicalutamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide is a member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group. It is a nitrile, a tertiary alcohol, a monocarboxylic acid amide, a sulfone, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.

CAS Number90357-06-5
PubChem CID2375
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
Molecular FormulaC18H14F4N2O4S
Molecular Weight430.4
XLogP2.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity750
SMILES
CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
InChI
InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
InChIKey
LKJPYSCBVHEWIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bicalutamide
CAS: 90357-06-5
CID: 2375
Formula: C18H14F4N2O4S
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass430.06104075
Monoisotopic Mass430.06104075
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A5065-100Bicalutamide

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