![(3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether structure](/static/products/515/515154-59-3.png)
(3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether
TL;DR: (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether (CAS 515154-59-3) is a chemical compound with molecular formula C10H15NO and molecular weight 165.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-ethynyl-3-methoxy-1-azabicyclo[2.2.2]octane
Also Known As: (8R)-8-ethynyl-8-methoxy-1-azabicyclo[2.2.2]octane, (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether, 1-Azabicyclo[2.2.2]octane, 3-ethynyl-3-methoxy-, (3R)- (9CI)
| Molecular Formula | C10H15NO |
|---|---|
| Molecular Weight | 165.12 g/mol |
| LogP | 0.7304 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.11537 |
| Heavy Atoms | 12 |
| Complexity | 212.3687 |
Chemical Identifiers
| CAS Number | 515154-59-3 |
|---|---|
| SMILES | CO[C@@]1(CN2CCC1CC2)C#C |
Product Overview
(3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether (CAS 515154-59-3), with molecular formula C10H15NO and molecular weight 165.12 g/mol. IUPAC: (3R)-3-ethynyl-3-methoxy-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether
Property Insights of (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether
The XLogP value of 0.7304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether. With a topological polar surface area (TPSA) of 12.47 Ų, (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether 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 (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether?
The CAS number of (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether is 515154-59-3.
What is the molecular formula of (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether?
The molecular formula of (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether is C10H15NO.
What is the molecular weight of (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether?
The molecular weight of (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether is 165.12 g/mol.
Where can I buy (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether?
You can request a quote for (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether?
Yes, KEHONG BIO provides custom synthesis services for (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.