diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
TL;DR: diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate (CAS 7467-77-8) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
Also Known As: diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate, 2,5-DIETHYL 3-ETHYL-4-METHYL-1H-PYRROLE-2,5-DICARBOXYLATE, 3-Ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid diethyl ester
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 7467-77-8 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C(=O)OCC)C(=O)OCC |
| InChIKey | JIMWYFLOQANMML-UHFFFAOYSA-N |
Product Overview
diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate (CAS 7467-77-8), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate.
Chemical Property Profile of diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
Property Insights of diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
The XLogP value of 3.0 indicates that diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-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 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-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 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
The CAS number of diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate is 7467-77-8.
What is the molecular formula of diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
The molecular formula of diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate is C13H19NO4.
What is the molecular weight of diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
The molecular weight of diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate is 253.13 g/mol.
Where can I buy diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
You can request a quote for diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-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-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.