Febuxostat Impurity 35

CAT: 1299-RM-F022461-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-F022461-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

1863097-56-6

Synonyms

2-isobutoxy-5- (4-methylthiazol-2-yl) benzamide

Molecular Formula

C15H18N2O2S

Molecular Weight

290.38

Target Alternative Name

Febuxostat

Product Name Synonym

2-isobutoxy-5- (4-methylthiazol-2-yl) benzamide

Chemical Information

2-Isobutoxy-5-(4-methylthiazol-2-yl)benzamide

CAS Number	1863097-56-6
PubChem CID	175673664
IUPAC Name	2-(2-methylpropoxy)-5-(4-methyl-1,3-thiazol-2-yl)benzamide
Molecular Formula	C15H18N2O2S
Molecular Weight	290.4
XLogP	3.2
Topological Polar Surface Area	93.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	338

SMILES

CC1=CSC(=N1)C2=CC(=C(C=C2)OCC(C)C)C(=O)N

InChI

InChI=1S/C15H18N2O2S/c1-9(2)7-19-13-5-4-11(6-12(13)14(16)18)15-17-10(3)8-20-15/h4-6,8-9H,7H2,1-3H3,(H2,16,18)

InChIKey

HWFAIAHWUNBTFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1863097-56-6

CID: 175673664

Formula: C15H18N2O2S

MW: 290.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.4
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	290.10889899
Monoisotopic Mass	290.10889899
Topological Polar Surface Area	93.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	338
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