3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole
TL;DR: 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole (CAS 16200-50-3) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate
Also Known As: 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole, Ethyl 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 3,4-diethyl-5-methyl-, ethyl ester, ethyl 3,4-diethyl-5-methylpyrrole-2-carboxylate, 2-Methyl-3,4-diethyl-5-carbethoxypyrrole
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 16200-50-3 |
|---|---|
| SMILES | CCC1=C(NC(=C1CC)C(=O)OCC)C |
| InChIKey | YXAABSBFWADBRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole (CAS 16200-50-3), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: ethyl 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole
Property Insights of 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole
The XLogP value of 3.3 indicates that 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole has 1 hydrogen bond donor(s) and 2 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 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole?
The CAS number of 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole is 16200-50-3.
What is the molecular formula of 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole?
The molecular formula of 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole is C12H19NO2.
What is the molecular weight of 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole?
The molecular weight of 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole is 209.14 g/mol.
Where can I buy 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole?
You can request a quote for 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.