2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid - CAS 132307-22-3
Catalog: |
BB007573 |
Product Name: |
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid |
CAS: |
132307-22-3 |
Synonyms: |
2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid; 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid |
Description: | 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid (CAS# 132307-22-3) is a useful research chemical. |
Molecular Weight: | 265.29 |
Molecular Formula: | C12H11NO4S |
Canonical SMILES: | COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)O)OC |
InChI: | InChI=1S/C12H11NO4S/c1-16-9-4-3-7(5-10(9)17-2)11-13-8(6-18-11)12(14)15/h3-6H,1-2H3,(H,14,15) |
InChI Key: | PGSGSXVGWCROPO-UHFFFAOYSA-N |
Purity: | 95 % |
Solubility: | >39.8 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD01936222 |
LogP: | 2.52550 |
Publication Number | Title | Priority Date |
EP-1979335-A2 | Thiazoles as 11 beta-hsd1 inhibitors | 20060118 |
US-2007167622-A1 | Thiazoles as inhibitors of 11B-hydroxysteroid dehydrogenase | 20060118 |
US-7645773-B2 | Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase | 20060118 |
WO-2007082808-A3 | Thiazoles as 11 beta-hsd1 inhibitors | 20060118 |
CA-2002722-A1 | Trisubstituted piperazine compounds, their production and use | 19881111 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.04087901 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.04087901 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 96.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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