Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate
TL;DR: Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate (CAS 40771-37-7) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate, 4-Nitro-N-carboethoxyphthalimide, 3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester, ethyl 3-[2-(ethoxycarbonyl)ethyl]-5-methylpyrrole-2-carboxylate, 1H-Pyrrole-3-propanoicacid, 2-(ethoxycarbonyl)-5-methyl-, ethyl ester
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 40771-37-7 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(NC(=C1)C)C(=O)OCC |
| InChIKey | OTGFBIQHQGYXLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate (CAS 40771-37-7), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate
Property Insights of Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate?
The CAS number of Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate is 40771-37-7.
What is the molecular formula of Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate?
The molecular formula of Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate is C13H19NO4.
What is the molecular weight of Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate?
The molecular weight of Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate is 253.13 g/mol.
Where can I buy Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate?
You can request a quote for Ethyl 3-(3-ethoxy-3-oxopropyl)-5-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 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.