TL;DR: (3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol (CAS 160172-20-3) is a chemical compound with molecular formula C9H13NO and molecular weight 151.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol
Also Known As: (3R)-3-Ethynyl-3-quinuclidinol, (3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol, 8-ethynyl-1-azabicyclo[2.2.2]octan-8-ol, 1-Azabicyclo[2.2.2]octan-3-ol, 3-ethynyl-, (3R)- (9CI), A1IXB
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.09972 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.09972 Da |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
| SMILES | C#C[C@]1(CN2CCC1CC2)O |
| InChIKey | YRTHQTAVIFQEEG-SECBINFHSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol. With a topological polar surface area (TPSA) of 23.5 Ų, (3R)-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, (3R)-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.
The CAS number of (3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol is 160172-20-3.
The molecular formula of (3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol is C9H13NO.
The molecular weight of (3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol is 151.09972 g/mol.
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