Bicalutamide Related Compound B

CAT: 1596-AR-B01592-01Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B01592-01Size:25 Units

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CAS Number

1166228-30-3

Synonyms

N- (4-cyano-3- (trifluoromethyl) phenyl) -3- ((3-fluorophenyl) sulfonyl) -2-hydroxy-2-methylpropanamide

Molecular Formula

C18H14F4N2O4S

Molecular Weight

430.38

API Name

Bicalutamide

Chemical Information

3-Fluoro-4-desfluoro bicalutamide

CAS Number	1166228-30-3
PubChem CID	42604836
IUPAC Name	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
Molecular Formula	C18H14F4N2O4S
Molecular Weight	430.4
XLogP	2.3
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	758

SMILES

CC(CS(=O)(=O)C1=CC=CC(=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)14-4-2-3-12(19)7-14)16(25)24-13-6-5-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)

InChIKey

JNUHKUUHIXCACT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1166228-30-3

CID: 42604836

Formula: C18H14F4N2O4S

MW: 430.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	430.4
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	430.06104075
Monoisotopic Mass	430.06104075
Topological Polar Surface Area	116 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	758
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-G01687-01	Glycopyrrolate Related Compound B
AR-P27396-01	Trimethoprim Related Compound B
AR-T03099-01	Tropicamide Related Compound B
AR-R01964-01	Ropinirole Related Compound B
AR-R01672-01	Risedronate related compound B
AR-M03693-01	Mesna Related Compound B
AR-A01010-01	Abacavir Related Compound B
AR-B05602-01	Bupropion Related Compound B
AR-F02105-01	Fosinopril Related Compound B
AR-E02605-01	Estradiol Related Compound B

Catalog	Name
RM-B031207-01	Bicalutamide USP Related Compound B
MBA94506-01	Estazolam Related Compound A
CS-EG-03533	Tramadol Related Compound A
CS-T-93662	Vinorelbine Related Compound A
CS-O-16666	Valrubicin related compound
CS-CY-00056	Travoprost Related Compound A
CS-O-14111	Tranylcypromine Related Compound A
CS-O-61077	Testosterone Related Compound A
FCA19889-01	Clonazepam related compound A
ABA45153-01	Felbamate Related Compound A