Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate
TL;DR: Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate (CAS 84695-54-5) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate
Also Known As: J1.300.449H, AF-399/14944252, diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate, 5,5-Diphenyl-2-pyrazoline-3,4-dicarboxylic acid diethyl ester, diethyl 5,5-diphenyl-4,5-dihydro-1H-pyrazole-3,4-dicarboxylate
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 2.6318 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 794.27484 |
Chemical Identifiers
| CAS Number | 84695-54-5 |
|---|---|
| SMILES | CCOC(=O)C1C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC |
Product Overview
Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate (CAS 84695-54-5), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate.
Chemical Property Profile of Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate
Property Insights of Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate
The XLogP value of 2.6318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate has 1 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 Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate?
The CAS number of Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate is 84695-54-5.
What is the molecular formula of Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate?
The molecular formula of Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate is C21H22N2O4.
What is the molecular weight of Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate?
The molecular weight of Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate is 366.16 g/mol.
Where can I buy Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate?
You can request a quote for Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.