1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester (CAS 96722-80-4) is a chemical compound with molecular formula C19H15ClN2O4 and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(2-chlorophenyl)-5-phenylpyrazole-3,4-dicarboxylate
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester, dimethyl 1-(2-chlorophenyl)-5-phenylpyrazole-3,4-dicarboxylate, Dimethyl 1-(2-chlorophenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylate
| Molecular Formula | C19H15ClN2O4 |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.07202 |
| Heavy Atoms | 26 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 96722-80-4 |
|---|---|
| SMILES | COC(=O)C1=C(N(N=C1C(=O)OC)C2=CC=CC=C2Cl)C3=CC=CC=C3 |
| InChIKey | UROGHOLEPKYCTE-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester (CAS 96722-80-4), with molecular formula C19H15ClN2O4 and molecular weight 370.07 g/mol. IUPAC: dimethyl 1-(2-chlorophenyl)-5-phenylpyrazole-3,4-dicarboxylate.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester
The XLogP value of 4.2 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester has 0 hydrogen bond donor(s) and 5 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 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester is 96722-80-4.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester is C19H15ClN2O4.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester is 370.07 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-, Dimethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.