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Home > Products > Pharmaceutical R&D Materials > Heterocyclic Building Blocks > 2-(4-(sec-butoxy)-3-cyanophenyl)-4-methylthiazole-5-carboxylic acid
2-(4-(sec-butoxy)-3-cyanophenyl)-4-methylthiazole-5-carboxylic acid structure, CAS 1335202-59-9

2-(4-(sec-butoxy)-3-cyanophenyl)-4-methylthiazole-5-carboxylic acid

CAS Number1335202-59-9

Synonyms2-[3-Cyano-4-(1-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid

Molecular FormulaC16H16O3N2S1

Molecular Weight316.38

Purity

Density1.31±0.1 g/cm3 (20 ºC 760 Torr)

Boiling Point

Melting Point

Flash Point

Appearance

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Cat. No.: 2A-3180459 Purity:
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Quality Control of [ 1335202-59-9 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1335202-59-9
Catalog No.2A-3180459
Chinese Name非布索坦杂质J
Synonyms2-[3-Cyano-4-(1-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid
Molecular FormulaC16H16O3N2S1
Molecular Weight316.38
Density1.31±0.1 g/cm3 (20 ºC 760 Torr)
Water SolubilityInsuluble (3.5E-3 g/L) (25 ºC)
Storage Conditionroom temperature
ApplicationFebuxostat sec-butoxy acid is an impurity of Febuxostat. Febuxostat is a selective xanthine oxidase (XO) inhibitor with a Ki of 0.6 nM.
PubChem ID226696402
MDL NumberMFCD31652183
SMILESCCC(C)Oc1ccc(-c2nc(C)c(C(=O)O)s2)cc1C#N
InChIInChI=1S/C16H16N2O3S/c1-4-9(2)21-13-6-5-11(7-12(13)8-17)15-18-10(3)14(22-15)16(19)20/h5-7,9H,4H2,1-3H3,(H,19,20)
InChI KeyHNNODDVYKUBOBQ-UHFFFAOYSA-N
Transport InfoProduct name: 2-(4-(sec-butoxy)-3-cyanophenyl)-4-methylthiazole-5-carboxylic acid
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