ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate (CAS 67411-01-2) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 67411-01-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC=C1)CC(=O)OC |
| InChIKey | JLODFNBAJLAUEX-UHFFFAOYSA-N |
Product Overview
ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate (CAS 67411-01-2), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-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 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate is 67411-01-2.
What is the molecular formula of ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate is C10H13NO4.
What is the molecular weight of ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate is 211.08 g/mol.
Where can I buy ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.