3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid
TL;DR: 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid (CAS 400744-33-4) is a chemical compound with molecular formula C11H7F3N2O3 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid
Also Known As: 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid, 3-(5-Hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzoic acid, BAS 00743986, 3-[5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid, 3-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid
| Molecular Formula | C11H7F3N2O3 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 1.8826 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.04086 |
| Heavy Atoms | 19 |
| Complexity | 684.97925 |
Chemical Identifiers
| CAS Number | 400744-33-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C=C(N2)C(F)(F)F)C(=O)O |
Product Overview
3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid (CAS 400744-33-4), with molecular formula C11H7F3N2O3 and molecular weight 272.04 g/mol. IUPAC: 3-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid.
Chemical Property Profile of 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid
Property Insights of 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid
The XLogP value of 1.8826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid. Following Lipinski's Rule of Five, 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid has 2 hydrogen bond donor(s) and 2 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 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid?
The CAS number of 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid is 400744-33-4.
What is the molecular formula of 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid?
The molecular formula of 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid is C11H7F3N2O3.
What is the molecular weight of 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid?
The molecular weight of 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid is 272.04 g/mol.
Where can I buy 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid?
You can request a quote for 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.