![(1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate structure](/static/products/4196/41967-35-5.webp)
(1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate
TL;DR: (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate (CAS 41967-35-5) is a chemical compound with molecular formula C16H22NO2+ and molecular weight 260.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate
Also Known As: (1-benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate, 3-(ACETYLOXY)-1-BENZYL-1-AZABICYCLO[2.2.2]OCTAN-1-IUM
| Molecular Formula | C16H22NO2+ |
|---|---|
| Molecular Weight | 260.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.16504 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 41967-35-5 |
|---|---|
| SMILES | CC(=O)OC1C[N+]2(CCC1CC2)CC3=CC=CC=C3 |
| InChIKey | COGFKMNSZAFGHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate (CAS 41967-35-5), with molecular formula C16H22NO2+ and molecular weight 260.17 g/mol. IUPAC: (1-benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate.
Chemical Property Profile of (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate
Property Insights of (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate. With a topological polar surface area (TPSA) of 26.3 Ų, (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate has 0 hydrogen bond donor(s) and 2 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 (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate?
The CAS number of (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate is 41967-35-5.
What is the molecular formula of (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate?
The molecular formula of (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate is C16H22NO2+.
What is the molecular weight of (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate?
The molecular weight of (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate is 260.17 g/mol.
Where can I buy (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate?
You can request a quote for (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (1-Benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.