ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate (CAS 40480-99-7) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: 2-ethyl-4-methyl-5-carbethoxypyrrole, ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylicacid,5-ethyl-3-methyl-,ethylester, 1H-pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-, ethyl ester, 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-, ethyl ester (9CI)
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 40480-99-7 |
|---|---|
| SMILES | CCC1=CC(=C(N1)C(=O)OCC)C |
| InChIKey | GKIOEXJBJILTEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate (CAS 40480-99-7), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate 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 ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate is 40480-99-7.
What is the molecular formula of ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate is C10H15NO2.
What is the molecular weight of ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate is 181.11 g/mol.
Where can I buy ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 5-ethyl-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 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.