Febuxostat Impurity 32

CAT: 1596-AR-F11149-01Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-F11149-01Size:25 Units

Selected

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

Quick Request Actions

CAS Number

1267681-15-1

Synonyms

Methyl 2- (4-hydroxyphenyl) -4-methylthiazole-5-carboxylate hydrochloride

Molecular Formula

C12H11NO3S

Molecular Weight

249.28

API Name

Febuxostat

Chemical Information

Methyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

CAS Number	1267681-15-1
PubChem CID	135414362
IUPAC Name	methyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
Molecular Formula	C12H11NO3S
Molecular Weight	249.29
XLogP	2.8
Topological Polar Surface Area	87.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	279

SMILES

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

InChI

InChI=1S/C12H11NO3S/c1-7-10(12(15)16-2)17-11(13-7)8-3-5-9(14)6-4-8/h3-6,14H,1-2H3

InChIKey

PDYBKGSAHOFAHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1267681-15-1

CID: 135414362

Formula: C12H11NO3S

MW: 249.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.29
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	249.04596439
Monoisotopic Mass	249.04596439
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	279
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