1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid
TL;DR: 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid (CAS 92537-81-0) is a chemical compound with molecular formula C13H10FN3O3S and molecular weight 307.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
Also Known As: 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid, 1H-Pyrazole-4-acetic acid, 1-(6-fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-, 2-(4'-Carboxymethyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-6-fluorobenzothiazole, 2-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid, (2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
| Molecular Formula | C13H10FN3O3S |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 1.84992 |
| Topological Polar Surface Area | 87.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.0427 |
| Heavy Atoms | 21 |
| Complexity | 909.1576 |
Chemical Identifiers
| CAS Number | 92537-81-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)F)CC(=O)O |
Product Overview
1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid (CAS 92537-81-0), with molecular formula C13H10FN3O3S and molecular weight 307.04 g/mol. IUPAC: 2-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid.
Chemical Property Profile of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid
Property Insights of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid
The XLogP value of 1.84992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid. The TPSA of 87.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid. Following Lipinski's Rule of Five, 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid?
The CAS number of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid is 92537-81-0.
What is the molecular formula of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid?
The molecular formula of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid is C13H10FN3O3S.
What is the molecular weight of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid?
The molecular weight of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid is 307.04 g/mol.
Where can I buy 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid?
You can request a quote for 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.