Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate
TL;DR: Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate (CAS 65939-65-3) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate
Also Known As: diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate, Diethyl 3,5-diphenyl-2H-pyrrole-2,2-dicarboxylate, 3,5-Diphenyl-2H-pyrrole-2,2-dicarboxylic acid diethyl ester, 2,2-diethyl 3,5-diphenyl-2H-pyrrole-2,2-dicarboxylate
| Molecular Formula | C22H21NO4 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.14706 |
| Heavy Atoms | 27 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 65939-65-3 |
|---|---|
| SMILES | CCOC(=O)C1(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC |
| InChIKey | PCHPLEPVFXIKPP-UHFFFAOYSA-N |
Product Overview
Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate (CAS 65939-65-3), with molecular formula C22H21NO4 and molecular weight 363.15 g/mol. IUPAC: diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate.
Chemical Property Profile of Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate
Property Insights of Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate
The XLogP value of 3.8 indicates that Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate 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 Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate?
The CAS number of Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate is 65939-65-3.
What is the molecular formula of Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate?
The molecular formula of Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate is C22H21NO4.
What is the molecular weight of Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate?
The molecular weight of Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate is 363.15 g/mol.
Where can I buy Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate?
You can request a quote for Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.