1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid (CAS 618382-87-9) is a chemical compound with molecular formula C14H8ClFN2O2S and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
Also Known As: 1-(3-CHLORO-4-FLUOROPHENYL)-3-(THIOPHEN-2-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID, SALOR-INT L323926-1EA, 1-(3-CHLORO-4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID, 2-(3-chloro-4-fluoro-phenyl)-5-thiophen-2-yl-pyrazole-3-carboxylic Acid, 2-(3-chloro-4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
| Molecular Formula | C14H8ClFN2O2S |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 4.0915 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.9979 |
| Heavy Atoms | 21 |
| Complexity | 814.5008 |
Chemical Identifiers
| CAS Number | 618382-87-9 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN(C(=C2)C(=O)O)C3=CC(=C(C=C3)F)Cl |
Product Overview
1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid (CAS 618382-87-9), with molecular formula C14H8ClFN2O2S and molecular weight 322.00 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 4.0915 indicates that 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid is 618382-87-9.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid is C14H8ClFN2O2S.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid is 322.00 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.