3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester
TL;DR: 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester (CAS 943-34-0) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-azatricyclo[3.2.1.02,4]octane-3-carboxylate
Also Known As: NCIOpen2_000840, Ethyl 3-azatricyclo(3.2.1.0(sup2,4))octane-3-carboxylate, 3-Azatricyclo[3.2.1.02, ethyl ester, Ethyl 3-azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylate, 3-Azatricyclo[3.2.1.0(sup2, ethyl ester
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 943-34-0 |
|---|---|
| SMILES | CCOC(=O)N1C2C1C3CCC2C3 |
| InChIKey | DZOOLBXFQXIOFA-UHFFFAOYSA-N |
Product Overview
3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester (CAS 943-34-0), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: ethyl 3-azatricyclo[3.2.1.02,4]octane-3-carboxylate.
Chemical Property Profile of 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester
Property Insights of 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic 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 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester?
The CAS number of 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester is 943-34-0.
What is the molecular formula of 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester?
The molecular formula of 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester is C10H15NO2.
What is the molecular weight of 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester?
The molecular weight of 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester is 181.11 g/mol.
Where can I buy 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester?
You can request a quote for 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic 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 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.