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2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylicAcid

2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylicAcid structure

CAS No:
1239233-87-4
Formula:
C16H17NO5S
Chemical Name:
2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylicAcid
Synonyms:
Febuxostat Impurity 26 (2-(3-carboxy-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid);Febuxostat Dicarboxylic Acid Impurity;2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid;2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid;Febuxostat Impurity C (DA);2-[3-carboxyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid;Febuxostat impurity 6/Febuxostat Dicarboxylic Acid/2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid;Febuxostat-2

Description

2-[3-Carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid is an impurity of Febuxostat, an xanthine oxidase/ xanthine dehydrogenase inhibitor used for the treatment of hyperuricemia and chronic gout.

2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylicAcid Basic Attributes

Molecular Weight：

335.37

Exact Mass：

335.083

Characteristics

PSA：

124.96000

XLogP3：

3.54970

Density：

1.327±0.06 g/cm3

Boiling Point：

568.9±60.0 °C(Predicted)

PKA：

1.21±0.37

2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylicAcid Use and Manufacturing

2-[3-Carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid is an impurity of Febuxostat (F229000), an xanthine oxidase/ xanthine dehydrogenase inhibitor used for the treatment of hyperuricemia and chronic gout.

Computed Properties

Molecular Weight:335.4
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:335.08274382
Monoisotopic Mass:335.08274382
Topological Polar Surface Area:125
Heavy Atom Count:23
Complexity:444
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: aluminum phosphate; d glucopyranose; copper sulphide; triiodide; 2-methyl-2-butene; t butanol

Guide of 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylicAcid

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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