1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester (CAS 96722-96-2) is a chemical compound with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 3-O-methyl 1-(3-chloro-4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylate
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester, 4-Ethyl 3-methyl 1-(3-chloro-4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylate, 4-O-ethyl 3-O-methyl 1-(3-chloro-4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylate
| Molecular Formula | C21H19ClN2O4 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.10333 |
| Heavy Atoms | 28 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 96722-96-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C(=O)OC)C2=CC(=C(C=C2)C)Cl)C3=CC=CC=C3 |
| InChIKey | RNQXNCAYIAJEJO-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester (CAS 96722-96-2), with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol. IUPAC: 4-O-ethyl 3-O-methyl 1-(3-chloro-4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylate.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester
The XLogP value of 5.0 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl 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-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl 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-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester is 96722-96-2.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester is C21H19ClN2O4.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester is 398.10 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl 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-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-chloro-4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.