2-Quinuclidinecarboxylic acid, ethyl ester
TL;DR: 2-Quinuclidinecarboxylic acid, ethyl ester (CAS 42137-76-8) is a chemical compound with molecular formula CCOC(=O)N1CC2CCC1CC2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-azabicyclo[2.2.2]octane-2-carboxylate
Also Known As: Ethyl quinuclidine-2-carboxylate, 2-Quinuclidinecarboxylic acid, ethyl ester, 2-Ethoxycarbonyl-2-azabicyclo[2.2.2]octane, (+/-)-ethyl quinuclidine-2-carboxylate, ethyl 2-azabicyclo[2.2.2]octane-2-carboxylate
| Molecular Formula | CCOC(=O)N1CC2CCC1CC2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 42137-76-8 |
|---|---|
| SMILES | CCOC(=O)N1CC2CCC1CC2 |
| InChIKey | YJPLMGXUWNSTGG-UHFFFAOYSA-N |
Product Overview
2-Quinuclidinecarboxylic acid, ethyl ester (CAS 42137-76-8), with molecular formula CCOC(=O)N1CC2CCC1CC2 and molecular weight 183.13 g/mol. IUPAC: ethyl 2-azabicyclo[2.2.2]octane-2-carboxylate.
Chemical Property Profile of 2-Quinuclidinecarboxylic acid, ethyl ester
Property Insights of 2-Quinuclidinecarboxylic acid, ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Quinuclidinecarboxylic acid, ethyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Quinuclidinecarboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Quinuclidinecarboxylic acid, ethyl ester has 0 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 2-Quinuclidinecarboxylic acid, ethyl ester?
The CAS number of 2-Quinuclidinecarboxylic acid, ethyl ester is 42137-76-8.
What is the molecular formula of 2-Quinuclidinecarboxylic acid, ethyl ester?
The molecular formula of 2-Quinuclidinecarboxylic acid, ethyl ester is CCOC(=O)N1CC2CCC1CC2.
What is the molecular weight of 2-Quinuclidinecarboxylic acid, ethyl ester?
The molecular weight of 2-Quinuclidinecarboxylic acid, ethyl ester is 183.13 g/mol.
Where can I buy 2-Quinuclidinecarboxylic acid, ethyl ester?
You can request a quote for 2-Quinuclidinecarboxylic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Quinuclidinecarboxylic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Quinuclidinecarboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.