Febuxostat Impurity 47

CAT: 1299-RM-F022473-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-F022473-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

144060-52-6

Synonyms

2- (3-cyano-4-isopropoxyphenyl) -4-methylthiazole-5-carboxylic acid

Molecular Formula

C15H14N2O3S

Molecular Weight

302.35

Target Alternative Name

Febuxostat

Product Name Synonym

2- (3-cyano-4-isopropoxyphenyl) -4-methylthiazole-5-carboxylic acid

Chemical Information

Febuxostat Isopropyl isomer

CAS Number	144060-52-6
PubChem CID	19965165
IUPAC Name	2-(3-cyano-4-propan-2-yloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Molecular Formula	C15H14N2O3S
Molecular Weight	302.4
XLogP	3.4
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	434

SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC(C)C)C#N)C(=O)O

InChI

InChI=1S/C15H14N2O3S/c1-8(2)20-12-5-4-10(6-11(12)7-16)14-17-9(3)13(21-14)15(18)19/h4-6,8H,1-3H3,(H,18,19)

InChIKey

UBKMOFWTLCOKFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 144060-52-6

CID: 19965165

Formula: C15H14N2O3S

MW: 302.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	302.07251349
Monoisotopic Mass	302.07251349
Topological Polar Surface Area	111 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	434
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