1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester (CAS 96722-83-7) is a chemical compound with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-(4-methylsulfanylphenyl)-5-phenylpyrazole-3,4-dicarboxylate
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester, Diethyl 1-(4-(methylthio)phenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylate, diethyl 1-(4-methylsulfanylphenyl)-5-phenylpyrazole-3,4-dicarboxylate, DIETHYL 1-(4-METHYLSULFANYLPHENYL)-5-PHENYL-PYRAZOLE-3,4-DICARBOXYLATE, Diethyl 1-[4-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrazole-3,4-dicarboxylate
| Molecular Formula | C22H22N2O4S |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.13004 |
| Heavy Atoms | 29 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 96722-83-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=C(C=C2)SC)C3=CC=CC=C3 |
| InChIKey | FZRLFWNSROVPQB-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester (CAS 96722-83-7), with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol. IUPAC: diethyl 1-(4-methylsulfanylphenyl)-5-phenylpyrazole-3,4-dicarboxylate.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester
The XLogP value of 4.8 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester has 0 hydrogen bond donor(s) and 6 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-(methylthio)phenyl)-5-phenyl-, Diethyl Ester?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester is 96722-83-7.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester is C22H22N2O4S.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester is 410.13 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)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-(methylthio)phenyl)-5-phenyl-, Diethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(methylthio)phenyl)-5-phenyl-, Diethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.