Febuxostat Impurity W

CAT: 1299-RM-F022423-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-F022423-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

1886961-39-2

Synonyms

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

Molecular Formula

C14H12N2O3S

Molecular Weight

288.32

Target Alternative Name

Febuxostat

Product Name Synonym

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

Chemical Information

Febuxostat Impurity W

CAS Number	1886961-39-2
PubChem CID	123329969
IUPAC Name	2-(3-cyano-4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Molecular Formula	C14H12N2O3S
Molecular Weight	288.32
XLogP	2.9
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	408

SMILES

CCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)C#N

InChI

InChI=1S/C14H12N2O3S/c1-3-19-11-5-4-9(6-10(11)7-15)13-16-8(2)12(20-13)14(17)18/h4-6H,3H2,1-2H3,(H,17,18)

InChIKey

QTDQNBLMXFOOKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1886961-39-2

CID: 123329969

Formula: C14H12N2O3S

MW: 288.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.32
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	288.05686342
Monoisotopic Mass	288.05686342
Topological Polar Surface Area	111 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	408
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