Ethyl 3-oxoquinuclidine-2-carboxylate
TL;DR: Ethyl 3-oxoquinuclidine-2-carboxylate (CAS 34286-16-3) 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 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate
Also Known As: Ethyl 3-oxoquinuclidine-2-carboxylate, ethyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate, 2-Ethoxycarbonyl-3-oxoquinuclidine, 2-Carboethoxy-3-Ketoquinuclidine, 3-Oxo-2-quinuclidinecarboxylic acid ethyl ester
| Molecular Formula | C10H15NO3 |
|---|---|
| Molecular Weight | 197.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.1052 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 34286-16-3 |
|---|---|
| SMILES | CCOC(=O)C1C(=O)C2CCN1CC2 |
| InChIKey | ZJSQPPLVZFFPOW-UHFFFAOYSA-N |
Product Overview
Ethyl 3-oxoquinuclidine-2-carboxylate (CAS 34286-16-3), with molecular formula C10H15NO3 and molecular weight 197.11 g/mol. IUPAC: ethyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate.
Chemical Property Profile of Ethyl 3-oxoquinuclidine-2-carboxylate
Property Insights of Ethyl 3-oxoquinuclidine-2-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxoquinuclidine-2-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 3-oxoquinuclidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxoquinuclidine-2-carboxylate 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 Ethyl 3-oxoquinuclidine-2-carboxylate?
The CAS number of Ethyl 3-oxoquinuclidine-2-carboxylate is 34286-16-3.
What is the molecular formula of Ethyl 3-oxoquinuclidine-2-carboxylate?
The molecular formula of Ethyl 3-oxoquinuclidine-2-carboxylate is C10H15NO3.
What is the molecular weight of Ethyl 3-oxoquinuclidine-2-carboxylate?
The molecular weight of Ethyl 3-oxoquinuclidine-2-carboxylate is 197.11 g/mol.
Where can I buy Ethyl 3-oxoquinuclidine-2-carboxylate?
You can request a quote for Ethyl 3-oxoquinuclidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxoquinuclidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxoquinuclidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.