![1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid structure](/static/products/957/957265-97-3.png)
1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid
TL;DR: 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid (CAS 957265-97-3) is a chemical compound with molecular formula C12H9ClN2O4 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
Also Known As: 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid, 1-(2-chlorobenzyl)-1H-pyrazole-3,5-dicarboxylic acid, M81
| Molecular Formula | C12H9ClN2O4 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 1.9812 |
| Topological Polar Surface Area | 92.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0251 |
| Heavy Atoms | 19 |
| Complexity | 650.92896 |
Chemical Identifiers
| CAS Number | 957265-97-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=CC(=N2)C(=O)O)C(=O)O)Cl |
Product Overview
1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid (CAS 957265-97-3), with molecular formula C12H9ClN2O4 and molecular weight 280.03 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid.
Chemical Property Profile of 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid
Property Insights of 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid
The XLogP value of 1.9812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid. The TPSA of 92.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid. Following Lipinski's Rule of Five, 1-[(2-chlorophenyl)methyl]pyrazole-3,5-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 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid?
The CAS number of 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid is 957265-97-3.
What is the molecular formula of 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid?
The molecular formula of 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid is C12H9ClN2O4.
What is the molecular weight of 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid?
The molecular weight of 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid is 280.03 g/mol.
Where can I buy 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid?
You can request a quote for 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.