1-Adamantyl(azepan-1-yl)methanone
TL;DR: 1-Adamantyl(azepan-1-yl)methanone (CAS 113435-67-9) is a chemical compound with molecular formula C17H27NO and molecular weight 261.20926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-adamantyl(azepan-1-yl)methanone
Also Known As: 1-(1-adamantylcarbonyl)azepane, 1-adamantyl(azepan-1-yl)methanone, adamantanyl azaperhydroepinyl ketone, AH-357/03537025, azepan-1-yl(tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
Technical Specifications
| Molecular Formula | C17H27NO |
| Molecular Weight | 261.20926 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.20926 Da |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
| SMILES | C1CCCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | XICGPKIYVIIEFX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Adamantyl(azepan-1-yl)methanone
Property Insights of 1-Adamantyl(azepan-1-yl)methanone
The XLogP value of 3.5 indicates that 1-Adamantyl(azepan-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Adamantyl(azepan-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Adamantyl(azepan-1-yl)methanone has 0 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 1-Adamantyl(azepan-1-yl)methanone?
The CAS number of 1-Adamantyl(azepan-1-yl)methanone is 113435-67-9.
What is the molecular formula of 1-Adamantyl(azepan-1-yl)methanone?
The molecular formula of 1-Adamantyl(azepan-1-yl)methanone is C17H27NO.
What is the molecular weight of 1-Adamantyl(azepan-1-yl)methanone?
The molecular weight of 1-Adamantyl(azepan-1-yl)methanone is 261.20926 g/mol.
Where can I buy 1-Adamantyl(azepan-1-yl)methanone?
You can request a quote for 1-Adamantyl(azepan-1-yl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Adamantyl(azepan-1-yl)methanone?
Yes, CoreyChem provides custom synthesis services for 1-Adamantyl(azepan-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.