Aceclidine
TL;DR: Aceclidine (CAS 827-61-2) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11028 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 acetate
Also Known As: aceclidine, Quinuclidin-3-yl acetate, 3-Acetoxyquinuclidine, Aceclidina, Aceclidinum
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.11028 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.11028 Da |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
| SMILES | CC(=O)OC1CN2CCC1CC2 |
| InChIKey | WRJPSSPFHGNBMG-UHFFFAOYSA-N |
Product Description
Applications: Aceclidine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Aceclidine (CAS 827-61-2) is a pharmaceutical intermediate with the molecular formula C9H15NO2 and a molecular weight of 169.11 g/mol. Synonyms include aceclidine and Quinuclidin-3-yl acetate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Aceclidine
Property Insights of Aceclidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aceclidine. With a topological polar surface area (TPSA) of 29.5 Ų, Aceclidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aceclidine 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 Aceclidine?
The CAS number of Aceclidine is 827-61-2.
What is the molecular formula of Aceclidine?
The molecular formula of Aceclidine is C9H15NO2.
What is the molecular weight of Aceclidine?
The molecular weight of Aceclidine is 169.11028 g/mol.
What are the applications of Aceclidine?
Aceclidine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Aceclidine?
You can request a quote for Aceclidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aceclidine?
Yes, CoreyChem provides custom synthesis services for Aceclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.