Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate (CAS 15769-97-8) is a chemical compound with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-, ethyl ester, 4-Ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl, Pyrrole-2-carboxylic acid, 4-ethyl-5-[(4-ethyl-3,5-dimethylpyrrol-2-yl)methyl]-3-methyl-, ethyl ester, 4-Ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C19H28N2O2 |
|---|---|
| Molecular Weight | 316.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.2151 |
| Heavy Atoms | 23 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 15769-97-8 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)CC2=C(C(=C(N2)C(=O)OCC)C)CC)C |
| InChIKey | COOZOQQTLZAWKQ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate (CAS 15769-97-8), with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol. IUPAC: ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 4.8 indicates that Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate has 2 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 Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate is 15769-97-8.
What is the molecular formula of Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate is C19H28N2O2.
What is the molecular weight of Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate is 316.22 g/mol.
Where can I buy Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.