Febuxostat Impurity 43

CAT: 1299-RM-F022469-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F022469-01Size:10 mg

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CAS Number

2073891-59-3

Synonyms

Ethyl 2- (3,5-diformyl-4-hydroxyphenyl) -4-methylthiazole-5-carboxylate

Molecular Formula

C15H13NO5S

Molecular Weight

319.33

Target Alternative Name

Febuxostat

Product Name Synonym

Ethyl 2- (3,5-diformyl-4-hydroxyphenyl) -4-methylthiazole-5-carboxylate

Chemical Information

Ethyl 2-(3,5-diformyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

CAS Number	2073891-59-3
PubChem CID	137240600
IUPAC Name	ethyl 2-(3,5-diformyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
Molecular Formula	C15H13NO5S
Molecular Weight	319.3
XLogP	2.7
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	414

SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C(=C2)C=O)O)C=O)C

InChI

InChI=1S/C15H13NO5S/c1-3-21-15(20)13-8(2)16-14(22-13)9-4-10(6-17)12(19)11(5-9)7-18/h4-7,19H,3H2,1-2H3

InChIKey

PMRFAKHWNDQKKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2073891-59-3

CID: 137240600

Formula: C15H13NO5S

MW: 319.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.3
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	319.05144369
Monoisotopic Mass	319.05144369
Topological Polar Surface Area	122 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	414
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