dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate
TL;DR: dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate (CAS 13901-70-7) is a chemical compound with molecular formula C20H17NO4 and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate
Also Known As: dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate, AE-842/32631033, 3,4-dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate, 2,5-Diphenyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester, InChI=1/C20H17NO4/c1-24-19(22)15-16(20(23)25-2)18(14-11-7-4-8-12-14)21-17(15)13-9-5-3-6-10-13/h3-12,21H,1-2H
| Molecular Formula | C20H17NO4 |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.11575 |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 13901-70-7 |
|---|---|
| SMILES | COC(=O)C1=C(NC(=C1C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | ULECFIQMHHBAGX-UHFFFAOYSA-N |
Product Overview
dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate (CAS 13901-70-7), with molecular formula C20H17NO4 and molecular weight 335.12 g/mol. IUPAC: dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate
Property Insights of dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate
The XLogP value of 3.7 indicates that dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate has 1 hydrogen bond donor(s) and 4 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 dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate?
The CAS number of dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate is 13901-70-7.
What is the molecular formula of dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate?
The molecular formula of dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate is C20H17NO4.
What is the molecular weight of dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate?
The molecular weight of dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate is 335.12 g/mol.
Where can I buy dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate?
You can request a quote for dimethyl 2,5-diphenyl-1H-pyrrole-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 dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.