(1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate
TL;DR: (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate (CAS 381194-19-0) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.2042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-azabicyclo[2.2.2]octan-3-yl adamantane-1-carboxylate
Also Known As: 1-azabicyclo[2.2.2]octan-3-yl adamantane-1-carboxylate, (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate, 1-azabicyclo[2.2.2]oct-3-yl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate, REGID_for_CID_659737
Technical Specifications
| Molecular Formula | C18H27NO2 |
| Molecular Weight | 289.2042 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.2042 Da |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
| SMILES | C1CN2CCC1C(C2)OC(=O)C34CC5CC(C3)CC(C5)C4 |
| InChIKey | MQTJTRXFDSDSOO-UHFFFAOYSA-N |
Chemical Property Profile of (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate
Property Insights of (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate
The XLogP value of 3.3 indicates that (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate 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
What is the CAS number of (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate?
The CAS number of (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate is 381194-19-0.
What is the molecular formula of (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate?
The molecular formula of (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate is C18H27NO2.
What is the molecular weight of (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate?
The molecular weight of (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate is 289.2042 g/mol.
Where can I buy (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate?
You can request a quote for (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for (1r,3R,5S)-quinuclidin-3-yl adamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.