![(1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one structure](/static/products/141/1418113-70-8.webp)
(1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one
TL;DR: (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one (CAS 1418113-70-8) is a chemical compound with molecular formula C8H11NO and molecular weight 137.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one
Also Known As: 3-azatricyclo[4.2.1.02,?]nonan-4-one, (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one, (1R,2S,5R,6R)-3-azatricyclo[4.2.1.0^{2,5}]nonan-4-one, (exo)-(+/-)-3-Aza-tricyclo[4.2.1.0(2.5)]nonane-4-one, (1R,2S,5R,6R/1S,2R,5S,6S)-3-azatricyclo[4.2.1.02,5]nonan-4-one
Technical Specifications
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.08406 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.08406 Da |
| Heavy Atoms | 10 |
| Complexity | 201.0 |
| SMILES | C1C[C@@H]2C[C@@H]1[C@@H]3[C@H]2NC3=O |
| InChIKey | NPAUQPZSOILENA-GBNDHIKLSA-N |
Chemical Property Profile of (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one
Property Insights of (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one has 1 hydrogen bond donor(s) and 1 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,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one?
The CAS number of (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one is 1418113-70-8.
What is the molecular formula of (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one?
The molecular formula of (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one is C8H11NO.
What is the molecular weight of (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one?
The molecular weight of (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one is 137.08406 g/mol.
Where can I buy (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one?
You can request a quote for (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one?
Yes, CoreyChem provides custom synthesis services for (1R,2S,5R,6R)-3-azatricyclo[4.2.1.02,5]nonan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.