2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid - CAS 886501-78-6
Catalog: |
BB039118 |
Product Name: |
2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid |
CAS: |
886501-78-6 |
Synonyms: |
2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylic acid; 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
Description: | 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid is an impurity of Febuxostat. Febuxostat is an antihyperuricemic nonpurine inhibitor of both the oxidized and reduced forms of xanthine oxidase. |
Molecular Weight: | 235.26 |
Molecular Formula: | C11H9NO3S |
Canonical SMILES: | CC1=C(SC(=N1)C2=CC=C(C=C2)O)C(=O)O |
InChI: | InChI=1S/C11H9NO3S/c1-6-9(11(14)15)16-10(12-6)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H,14,15) |
InChI Key: | PSKFNCWXDMYKEQ-UHFFFAOYSA-N |
LogP: | 2.52230 |
Publication Number | Title | Priority Date |
CN-109354584-A | The method of one pot process 2- (4- hydroxy phenyl) -4- methyl-1,3-thiazole-5-carboxylic acid ethyl ester | 20181015 |
WO-2016046836-A2 | A novel process for preparation of ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methyl-5-thiazolecarboxylate | 20140925 |
WO-2016046836-A3 | A novel process for preparation of ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methyl-5-thiazolecarboxylate | 20140925 |
CN-104418823-A | Preparation method of febuxostat intermediate | 20130902 |
EP-2718272-A2 | Process for febuxostat | 20110606 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.03031432 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 98.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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