2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester
TL;DR: 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester (CAS 37778-51-1) is a chemical compound with molecular formula C10H15NO3 and molecular weight 197.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
Also Known As: Ethyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate, 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester, 2-Ethoxycarbonyl-2-azabicyclo[2.2.2]octan-5-one, 2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, ethyl ester, Ethyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate #
| Molecular Formula | C10H15NO3 |
|---|---|
| Molecular Weight | 197.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.1052 |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 37778-51-1 |
|---|---|
| SMILES | CCOC(=O)N1CC2CCC1CC2=O |
| InChIKey | GCHPMCMRBLSVMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester (CAS 37778-51-1), with molecular formula C10H15NO3 and molecular weight 197.11 g/mol. IUPAC: ethyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate.
Chemical Property Profile of 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester
Property Insights of 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 46.6 Ų, 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 3 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-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester?
The CAS number of 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester is 37778-51-1.
What is the molecular formula of 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester?
The molecular formula of 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester is C10H15NO3.
What is the molecular weight of 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester?
The molecular weight of 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester is 197.11 g/mol.
Where can I buy 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester?
You can request a quote for 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, 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-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Azabicyclo(2.2.2)octane-2-carboxylic acid, 5-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.