![1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester structure](/static/products/776/77646-18-5.png)
1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester
TL;DR: 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester (CAS 77646-18-5) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1-azabicyclo[3.2.1]octan-4-yl)propanoate
Also Known As: 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester, Ethyl 3-(1-azabicyclo[3.2.1]oct-4-yl)propanoate, Ethyl 3-(1-azabicyclo[3.2.1]oct-4-yl)propanoate #, ethyl 3-(1-azabicyclo[3.2.1]octan-4-yl)propanoate, ethyl 3-{1-azabicyclo[3.2.1]octan-4-yl}propanoate
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 77646-18-5 |
|---|---|
| SMILES | CCOC(=O)CCC1CCN2CCC1C2 |
| InChIKey | CQCUVFWIYCFLQQ-UHFFFAOYSA-N |
Product Overview
1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester (CAS 77646-18-5), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: ethyl 3-(1-azabicyclo[3.2.1]octan-4-yl)propanoate.
Chemical Property Profile of 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester
Property Insights of 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[3.2.1]octane-4-propanoic acid, 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 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester?
The CAS number of 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester is 77646-18-5.
What is the molecular formula of 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester?
The molecular formula of 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester is C12H21NO2.
What is the molecular weight of 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester?
The molecular weight of 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester is 211.16 g/mol.
Where can I buy 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester?
You can request a quote for 1-Azabicyclo[3.2.1]octane-4-propanoic 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 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo[3.2.1]octane-4-propanoic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.