Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate
TL;DR: Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate (CAS 22766-68-3) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate
Also Known As: Ethyl quinuclidine-4-carboxylate, Ethyl 4-quinuclidinecarboxylate, ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate, 4-(Ethoxycarbonyl)quinuclidine, EthylQuinuclidine-4-carboxylate
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 22766-68-3 |
|---|---|
| SMILES | CCOC(=O)C12CCN(CC1)CC2 |
| InChIKey | MMXIVBVOFFBDEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate (CAS 22766-68-3), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate.
Chemical Property Profile of Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate
Property Insights of Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate 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 Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate?
The CAS number of Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate is 22766-68-3.
What is the molecular formula of Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate?
The molecular formula of Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate is C10H17NO2.
What is the molecular weight of Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate?
The molecular weight of Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate is 183.13 g/mol.
Where can I buy Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate?
You can request a quote for Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.