![2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one structure](/static/products/121/1217513-29-5.webp)
2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one
TL;DR: 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one (CAS 1217513-29-5) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7,7-trimethyl-2-azabicyclo[4.1.1]octan-3-one
Also Known As: 2,7,7-trimethyl-5-azabicyclo[4.1.1]octan-4-one, 5,7,7-Trimethyl-2-azabicyclo[4.1.1]octan-3-one, NCI60_019538, 2-Azabicyclo[4.1.1]octan-3-one, 5,7,7-trimethyl-, (1S)-5,7,7-trimethyl-2-azabicyclo[4.1.1]octan-3-one
Technical Specifications
| Molecular Formula | C10H17NO |
| Molecular Weight | 167.13101 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.13101 Da |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
| SMILES | CC1CC(=O)NC2CC1C2(C)C |
| InChIKey | YDTXUIIAVPEWLV-UHFFFAOYSA-N |
Chemical Property Profile of 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one
Property Insights of 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-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 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one?
The CAS number of 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one is 1217513-29-5.
What is the molecular formula of 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one?
The molecular formula of 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one is C10H17NO.
What is the molecular weight of 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one?
The molecular weight of 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one is 167.13101 g/mol.
Where can I buy 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one?
You can request a quote for 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one?
Yes, CoreyChem provides custom synthesis services for 2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.