3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester
TL;DR: 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester (CAS 4758-64-9) 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 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylate, 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester, 2,4-Dimethyl-3-n-propyl-5-carbethoxy-pyrrole, 2-ethoxycarbonyl-4-propyl-3,5-di-methylpyrrole, ethyl 3,5-dimethyl-4-propylpyrrole-2-carboxylate
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 3.4 |
| 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 | 4758-64-9 |
|---|---|
| SMILES | CCCC1=C(NC(=C1C)C(=O)OCC)C |
| InChIKey | FURNFZQCOQEXNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester (CAS 4758-64-9), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: ethyl 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester
Property Insights of 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester
The XLogP value of 3.4 indicates that 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester 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 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester?
The CAS number of 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester is 4758-64-9.
What is the molecular formula of 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester?
The molecular formula of 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester is C12H19NO2.
What is the molecular weight of 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester?
The molecular weight of 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester is 209.14 g/mol.
Where can I buy 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester?
You can request a quote for 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.