2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole
TL;DR: 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole (CAS 4989-26-8) 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-diethyl-4-methyl-1H-pyrrole-2-carboxylate
Also Known As: 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole, Ethyl 3,5-diethyl-4-methyl-1H-pyrrole-2-carboxylate, 3,5-diethyl-4-methyl-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 2.62462 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 352.74924 |
Chemical Identifiers
| CAS Number | 4989-26-8 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)CC)C(=O)OCC |
Product Overview
2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole (CAS 4989-26-8), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: ethyl 3,5-diethyl-4-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole
Property Insights of 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole
The XLogP value of 2.62462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole. With a topological polar surface area (TPSA) of 42.09 Ų, 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole 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 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole?
The CAS number of 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole is 4989-26-8.
What is the molecular formula of 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole?
The molecular formula of 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole is C12H19NO2.
What is the molecular weight of 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole?
The molecular weight of 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole is 209.14 g/mol.
Where can I buy 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole?
You can request a quote for 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbethoxy-3,5-diethyl-4-methyl-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.