1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester
TL;DR: 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester (CAS 96722-86-0) is a chemical compound with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3,4-dicarboxylate
Also Known As: 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester, Diethyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3,4-dicarboxylate, Diethyl 5-phenyl-1-(4-sulfamoylphenyl)-1H-pyrazole-3,4-dicarboxylate
| Molecular Formula | C21H21N3O6S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.1151 |
| Heavy Atoms | 31 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 96722-86-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3 |
| InChIKey | YGQBYWCXKDYMAJ-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester (CAS 96722-86-0), with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol. IUPAC: diethyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3,4-dicarboxylate.
Chemical Property Profile of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester
Property Insights of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester has 1 hydrogen bond donor(s) and 8 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-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester?
The CAS number of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester is 96722-86-0.
What is the molecular formula of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester?
The molecular formula of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester is C21H21N3O6S.
What is the molecular weight of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester?
The molecular weight of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester is 443.12 g/mol.
Where can I buy 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester?
You can request a quote for 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl 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-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(aminosulfonyl)phenyl)-5-phenyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.