![(3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate structure](/static/products/635/63515-67-3.png)
(3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate
TL;DR: (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate (CAS 63515-67-3) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate
Also Known As: 3-acetoxy-3-ethynyl-1-aza-bicyclo[2.2.2]octane, (8-ethynyl-1-azabicyclo[2.2.2]oct-8-yl) Acetate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 0.6471 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 286.1529 |
Chemical Identifiers
| CAS Number | 63515-67-3 |
|---|---|
| SMILES | CC(=O)OC1(CN2CCC1CC2)C#C |
Product Overview
(3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate (CAS 63515-67-3), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: (3-ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate.
Chemical Property Profile of (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate
Property Insights of (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate
The XLogP value of 0.6471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate. With a topological polar surface area (TPSA) of 29.54 Ų, (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate 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 (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate?
The CAS number of (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate is 63515-67-3.
What is the molecular formula of (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate?
The molecular formula of (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate is C11H15NO2.
What is the molecular weight of (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate?
The molecular weight of (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate is 193.11 g/mol.
Where can I buy (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate?
You can request a quote for (3-Ethynyl-1-azabicyclo[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 (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (3-Ethynyl-1-azabicyclo[2.2.2]octan-3-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.