Benzoclidine
TL;DR: Benzoclidine (CAS 16852-81-6) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-azabicyclo[2.2.2]octan-3-yl benzoate
Also Known As: Benzoclidine, quinuclidin-3-yl benzoate, Benzoclidinum, Benzoclidina, Oxylidine
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.12593 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.12593 Da |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
| Solubility | 31.5 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1CN2CCC1C(C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | AHKAOMZZTQULDS-UHFFFAOYSA-N |
Chemical Property Profile of Benzoclidine
Property Insights of Benzoclidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoclidine. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoclidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoclidine 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 Benzoclidine?
The CAS number of Benzoclidine is 16852-81-6.
What is the molecular formula of Benzoclidine?
The molecular formula of Benzoclidine is C14H17NO2.
What is the molecular weight of Benzoclidine?
The molecular weight of Benzoclidine is 231.12593 g/mol.
Where can I buy Benzoclidine?
You can request a quote for Benzoclidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoclidine?
Yes, CoreyChem provides custom synthesis services for Benzoclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.