dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate
TL;DR: dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate (CAS 4798-83-8) is a chemical compound with molecular formula C21H17NO5 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate
Also Known As: dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate, dimethyl 2-benzoyl-5-phenylpyrrole-3,4-dicarboxylate
| Molecular Formula | C21H17NO5 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.1107 |
| Heavy Atoms | 27 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 4798-83-8 |
|---|---|
| SMILES | COC(=O)C1=C(NC(=C1C(=O)OC)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | VELHECCMAWWYKD-UHFFFAOYSA-N |
Product Overview
dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate (CAS 4798-83-8), with molecular formula C21H17NO5 and molecular weight 363.11 g/mol. IUPAC: dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate
Property Insights of dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate
The XLogP value of 3.8 indicates that dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate has 1 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 dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate?
The CAS number of dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate is 4798-83-8.
What is the molecular formula of dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate?
The molecular formula of dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate is C21H17NO5.
What is the molecular weight of dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate?
The molecular weight of dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate is 363.11 g/mol.
Where can I buy dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate?
You can request a quote for dimethyl 2-benzoyl-5-phenyl-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-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-benzoyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.