![(3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol structure](/static/products/1601/160127-75-3.webp)
(3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol
TL;DR: (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol (CAS 160127-75-3) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol
Also Known As: (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol, (3s)-3-Ethynyl-3-quinuclidinol, (S)-3-ethynylquinuclidin-3-ol, 1-Azabicyclo[2.2.2]octan-3-ol, 3-ethynyl-, (3S)- (9CI), 8-ethynyl-1-azabicyclo[2.2.2]octan-8-ol
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 0.0763 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 200.0985 |
Chemical Identifiers
| CAS Number | 160127-75-3 |
|---|---|
| SMILES | C#C[C@@]1(CN2CCC1CC2)O |
Product Overview
(3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol (CAS 160127-75-3), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol.
Chemical Property Profile of (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol
Property Insights of (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol
The XLogP value of 0.0763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol. With a topological polar surface area (TPSA) of 23.47 Ų, (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol has 1 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 (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol?
The CAS number of (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol is 160127-75-3.
What is the molecular formula of (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol?
The molecular formula of (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol is C9H13NO.
What is the molecular weight of (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol?
The molecular weight of (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol is 151.10 g/mol.
Where can I buy (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol?
You can request a quote for (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.