![4-Acetoxy-1-azabicyclo[2.2.2]octane structure](/static/products/2645/26458-76-4.webp)
4-Acetoxy-1-azabicyclo[2.2.2]octane
TL;DR: 4-Acetoxy-1-azabicyclo[2.2.2]octane (CAS 26458-76-4) 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.
1-azabicyclo[2.2.2]octan-4-yl acetate
Also Known As: 4-Acetoxy-1-azabicyclo[2.2.2]octane, 1-azabicyclo[2.2.2]octan-4-yl acetate, 1-Azabicyclo(2.2.2)octane-4-ol acetate (ester), 1-Azabicyclo[2.2.2]oct-4-yl acetate #, 1-Azabicyclo[2.2.2]octane-4-ol acetate(ester)
| 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 | 181.0 |
Chemical Identifiers
| CAS Number | 26458-76-4 |
|---|---|
| SMILES | CC(=O)OC12CCN(CC1)CC2 |
| InChIKey | XTKZIFBRSPNTJD-UHFFFAOYSA-N |
Product Overview
4-Acetoxy-1-azabicyclo[2.2.2]octane (CAS 26458-76-4), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-4-yl acetate.
Chemical Property Profile of 4-Acetoxy-1-azabicyclo[2.2.2]octane
Property Insights of 4-Acetoxy-1-azabicyclo[2.2.2]octane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetoxy-1-azabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Acetoxy-1-azabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetoxy-1-azabicyclo[2.2.2]octane 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 4-Acetoxy-1-azabicyclo[2.2.2]octane?
The CAS number of 4-Acetoxy-1-azabicyclo[2.2.2]octane is 26458-76-4.
What is the molecular formula of 4-Acetoxy-1-azabicyclo[2.2.2]octane?
The molecular formula of 4-Acetoxy-1-azabicyclo[2.2.2]octane is C9H15NO2.
What is the molecular weight of 4-Acetoxy-1-azabicyclo[2.2.2]octane?
The molecular weight of 4-Acetoxy-1-azabicyclo[2.2.2]octane is 169.11 g/mol.
Where can I buy 4-Acetoxy-1-azabicyclo[2.2.2]octane?
You can request a quote for 4-Acetoxy-1-azabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetoxy-1-azabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetoxy-1-azabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.