5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid
TL;DR: 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid (CAS 54367-68-9) is a chemical compound with molecular formula C11H7ClN2O4 and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-phenylpyrazole-3,4-dicarboxylic acid
Also Known As: 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid, 1H-Pyrazole-3,4-dicarboxylic acid, 5-chloro-1-phenyl-, 5-chloro-1-phenylpyrazole-3,4-dicarboxylic acid, J3.057.257B, 1-Phenyl-5-chloro-1H-pyrazole-3,4-dicarboxylic acid
| Molecular Formula | C11H7ClN2O4 |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | 1.9221 |
| Topological Polar Surface Area | 92.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.00943 |
| Heavy Atoms | 18 |
| Complexity | 621.4735 |
Chemical Identifiers
| CAS Number | 54367-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)Cl |
Product Overview
5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid (CAS 54367-68-9), with molecular formula C11H7ClN2O4 and molecular weight 266.01 g/mol. IUPAC: 5-chloro-1-phenylpyrazole-3,4-dicarboxylic acid.
Chemical Property Profile of 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid
Property Insights of 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid
The XLogP value of 1.9221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid. The TPSA of 92.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid. Following Lipinski's Rule of Five, 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid has 2 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 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid?
The CAS number of 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid is 54367-68-9.
What is the molecular formula of 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid?
The molecular formula of 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid is C11H7ClN2O4.
What is the molecular weight of 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid?
The molecular weight of 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid is 266.01 g/mol.
Where can I buy 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid?
You can request a quote for 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-phenyl-1H-pyrazole-3,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.