乙酰克里定
TL;DR: 乙酰克里定 (CAS 827-61-2) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰克里定
1-azabicyclo[2.2.2]octan-3-yl acetate
Also Known As: aceclidine, Quinuclidin-3-yl acetate, 3-Acetoxyquinuclidine, Aceclidina, Aceclidinum
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 827-61-2 |
|---|---|
| SMILES | CC(=O)OC1CN2CCC1CC2 |
| InChIKey | WRJPSSPFHGNBMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰克里定 (CAS 827-61-2), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl acetate.
Chemical Property Profile of 乙酰克里定
Property Insights of 乙酰克里定
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰克里定. With a topological polar surface area (TPSA) of 29.5 Ų, 乙酰克里定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰克里定 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 乙酰克里定?
The CAS number of 乙酰克里定 is 827-61-2.
What is the molecular formula of 乙酰克里定?
The molecular formula of 乙酰克里定 is C9H15NO2.
What is the molecular weight of 乙酰克里定?
The molecular weight of 乙酰克里定 is 169.11 g/mol.
Where can I buy 乙酰克里定?
You can request a quote for 乙酰克里定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰克里定?
Yes, KEHONG BIO provides custom synthesis services for 乙酰克里定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.