![2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester structure](/static/products/346/34668-95-6.png)
2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester
TL;DR: 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester (CAS 34668-95-6) is a chemical compound with molecular formula C11H17NO2S and molecular weight 227.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-thia-6-azatricyclo[3.3.1.13,7]decane-6-carboxylate
Also Known As: 2-thia-6-aza-adamantane-6-carboxylic acid ethyl ester, 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester
| Molecular Formula | C11H17NO2S |
|---|---|
| Molecular Weight | 227.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.098 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 34668-95-6 |
|---|---|
| SMILES | CCOC(=O)N1C2CC3CC1CC(C2)S3 |
| InChIKey | KBHOWYVTURPPEM-UHFFFAOYSA-N |
Product Overview
2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester (CAS 34668-95-6), with molecular formula C11H17NO2S and molecular weight 227.10 g/mol. IUPAC: ethyl 2-thia-6-azatricyclo[3.3.1.13,7]decane-6-carboxylate.
Chemical Property Profile of 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester
Property Insights of 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester. With a topological polar surface area (TPSA) of 54.8 Ų, 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic 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 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester?
The CAS number of 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester is 34668-95-6.
What is the molecular formula of 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester?
The molecular formula of 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester is C11H17NO2S.
What is the molecular weight of 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester?
The molecular weight of 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester is 227.10 g/mol.
Where can I buy 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester?
You can request a quote for 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-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 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thia-6-azatricyclo[3.3.1.1(3,7)]decane-6-carboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.