1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
TL;DR: 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid (CAS 72460-46-9) is a chemical compound with molecular formula C10H7ClN2O3 and molecular weight 238.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
Also Known As: EINECS 276-670-5, 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, 1-(2-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid, 1- -4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylicacid, 1-(2-Chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C10H7ClN2O3 |
|---|---|
| Molecular Weight | 238.01 g/mol |
| LogP | 1.5173 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.01453 |
| Heavy Atoms | 16 |
| Complexity | 498.59244 |
Chemical Identifiers
| CAS Number | 72460-46-9 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=CC=C2Cl)C(=O)O |
Product Overview
1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid (CAS 72460-46-9), with molecular formula C10H7ClN2O3 and molecular weight 238.01 g/mol. IUPAC: 1-(2-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
Property Insights of 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
The XLogP value of 1.5173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-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-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid is 72460-46-9.
What is the molecular formula of 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid is C10H7ClN2O3.
What is the molecular weight of 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid is 238.01 g/mol.
Where can I buy 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-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-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.