diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate (CAS 36790-28-0) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate, 2,4-Diethoxycarbonyl-5-methyl-3-phenylpyrrol, J1.566.841E, AN-970/40920587, 2,4-Diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 36790-28-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)OCC)C |
| InChIKey | WFCFVRPMQNZKLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate (CAS 36790-28-0), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 3.5 indicates that diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-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 diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-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 diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate is 36790-28-0.
What is the molecular formula of diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate is C17H19NO4.
What is the molecular weight of diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate is 301.13 g/mol.
Where can I buy diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-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-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.