![1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- structure](/static/products/651/651314-70-4.png)
1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-
TL;DR: 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- (CAS 651314-70-4) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(1-azabicyclo[3.2.2]nonan-7-yl)ethynyl]-1,2-oxazole
Also Known As: 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-, 1-Azabicyclo[3.2.2]nonane,7-(5-isoxazolylethynyl), 7-[(1,2-Oxazol-5-yl)ethynyl]-1-azabicyclo[3.2.2]nonane, 5-[2-(1-azabicyclo[3.2.2]nonan-7-yl)ethynyl]-1,2-oxazole, 8-[2-(1,2-oxazol-5-yl)ethynyl]-1-azabicyclo[3.2.2]nonane
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.9005 |
| Topological Polar Surface Area | 29.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 397.31223 |
Chemical Identifiers
| CAS Number | 651314-70-4 |
|---|---|
| SMILES | C1CC2CCN(C1)C(C2)C#CC3=CC=NO3 |
Product Overview
1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- (CAS 651314-70-4), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 5-[2-(1-azabicyclo[3.2.2]nonan-7-yl)ethynyl]-1,2-oxazole.
Chemical Property Profile of 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-
Property Insights of 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-
The XLogP value of 1.9005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-. With a topological polar surface area (TPSA) of 29.27 Ų, 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- 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 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-?
The CAS number of 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- is 651314-70-4.
What is the molecular formula of 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-?
The molecular formula of 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- is C13H16N2O.
What is the molecular weight of 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-?
The molecular weight of 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- is 216.13 g/mol.
Where can I buy 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-?
You can request a quote for 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo[3.2.2]nonane, 7-(5-isoxazolylethynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.