![2-Cyanobicyclo[3.2.1]oct-2-yl acetate structure](/static/products/1420/142038-96-8.webp)
2-Cyanobicyclo[3.2.1]oct-2-yl acetate
TL;DR: 2-Cyanobicyclo[3.2.1]oct-2-yl acetate (CAS 142038-96-8) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-cyano-2-bicyclo[3.2.1]octanyl) acetate
Also Known As: NCIOpen2_000548, 2-cyanobicyclo[3.2.1]oct-2-yl acetate, 2-<2-Acetoxy-phenyl>-propionsaeure, (4-cyano-4-bicyclo[3.2.1]octanyl) acetate, 2-CYANOBICYCLO[3.2.1]OCTAN-2-YL ACETATE
Technical Specifications
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.11028 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 Da |
| Heavy Atoms | 14 |
| Complexity | 304.0 |
| SMILES | CC(=O)OC1(CCC2CCC1C2)C#N |
| InChIKey | WJESTEMTEBGBEU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Cyanobicyclo[3.2.1]oct-2-yl acetate
Property Insights of 2-Cyanobicyclo[3.2.1]oct-2-yl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanobicyclo[3.2.1]oct-2-yl acetate. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Cyanobicyclo[3.2.1]oct-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanobicyclo[3.2.1]oct-2-yl acetate 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
What is the CAS number of 2-Cyanobicyclo[3.2.1]oct-2-yl acetate?
The CAS number of 2-Cyanobicyclo[3.2.1]oct-2-yl acetate is 142038-96-8.
What is the molecular formula of 2-Cyanobicyclo[3.2.1]oct-2-yl acetate?
The molecular formula of 2-Cyanobicyclo[3.2.1]oct-2-yl acetate is C11H15NO2.
What is the molecular weight of 2-Cyanobicyclo[3.2.1]oct-2-yl acetate?
The molecular weight of 2-Cyanobicyclo[3.2.1]oct-2-yl acetate is 193.11028 g/mol.
Where can I buy 2-Cyanobicyclo[3.2.1]oct-2-yl acetate?
You can request a quote for 2-Cyanobicyclo[3.2.1]oct-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyanobicyclo[3.2.1]oct-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 2-Cyanobicyclo[3.2.1]oct-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.