5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester
TL;DR: 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester (CAS 150057-16-2) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-ethoxy-3,4-dihydro-2H-pyrrole-2-carboxylate
Also Known As: Methyl 5-ethoxy-3,4-dihydro-2H-pyrrole-2-carboxylate, (4R)-ethoxy-5-(methoxycarbonyl) 1-pyrrol, (R)-5-Ethoxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid methyl ester, 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester, 2H-Pyrrole-2-carboxylic acid, 5-ethoxy-3,4-dihydro-, methyl ester, (R)-
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 150057-16-2 |
|---|---|
| SMILES | CCOC1=NC(CC1)C(=O)OC |
| InChIKey | JZQCUHTXUVXJDW-UHFFFAOYSA-N |
Product Overview
5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester (CAS 150057-16-2), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: methyl 5-ethoxy-3,4-dihydro-2H-pyrrole-2-carboxylate.
Chemical Property Profile of 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester
Property Insights of 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 47.9 Ų, 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester has 0 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 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester?
The CAS number of 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester is 150057-16-2.
What is the molecular formula of 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester?
The molecular formula of 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester is C8H13NO3.
What is the molecular weight of 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester?
The molecular weight of 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester is 171.09 g/mol.
Where can I buy 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester?
You can request a quote for 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethoxy-3,4-dihydro-2h-pyrrole-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.