2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one
TL;DR: 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one (CAS 126126-44-1) is a chemical compound with molecular formula C17H22N2O and molecular weight 270.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: 2-benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one, AN-319/14360025, 2-benzyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one, (1r,5R,7S)-2-benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one, 2-benzyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Technical Specifications
| Molecular Formula | C17H22N2O |
| Molecular Weight | 270.17322 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.17322 Da |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3CC4=CC=CC=C4)C |
| InChIKey | JGIQGFUXYPATAU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one
Property Insights of 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one. With a topological polar surface area (TPSA) of 23.6 Ų, 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one 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 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one?
The CAS number of 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one is 126126-44-1.
What is the molecular formula of 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one?
The molecular formula of 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one is C17H22N2O.
What is the molecular weight of 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one?
The molecular weight of 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one is 270.17322 g/mol.
Where can I buy 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one?
You can request a quote for 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one?
Yes, CoreyChem provides custom synthesis services for 2-Benzyl-5,7-dimethyl-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.