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

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

CAS No:
1239233-86-3
Formula:
C16H18N2O4S
Chemical Name:
2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylicAcid
Synonyms:
2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid;Febuxostat Impurity 4 (A);Febuxostat Related Compound (Febuxostat Impurity 4 );Febuxostat-1;FEBUXOSTAT-1;Febuxostat Impurity 10/Febuxostat Amide Impurity/2-(3-carbamoyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid;2-[3-carbamoyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazole carboxylic acid;Febuxostat Amide

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

Molecular Weight：

334.39

Exact Mass：

334.09872823

Characteristics

PSA：

130.75000

XLogP3：

3.65070

Density：

1.291±0.06 g/cm3

Boiling Point：

538.9±60.0 °C(Predicted)

PKA：

1.22±0.37

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

2-[3-(Aminocarbonyl)-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:334.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:334.09872823
Monoisotopic Mass:334.09872823
Topological Polar Surface Area:131
Heavy Atom Count:23
Complexity:446
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-[3-carbamoyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazole carboxylic acid

CAS No.: 1239233-86-3

Content: 99.00%

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

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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