TL;DR: 1-(10-Azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone (CAS 1213782-23-0) is a chemical compound with molecular formula C13H15NO and molecular weight 201.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone
Also Known As: ethanone, 1-(1,2,4,5-tetrahydro-1,5-methano-3h-3-benzazepin-3-yl)-
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.11537 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.11537 Da |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
| SMILES | CC(=O)N1CC2CC(C1)C3=CC=CC=C23 |
| InChIKey | IEOXWKKEWRMDDQ-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(10-Azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(10-Azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(10-Azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(10-Azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone is 1213782-23-0.
The molecular formula of 1-(10-Azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone is C13H15NO.
The molecular weight of 1-(10-Azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone is 201.11537 g/mol.
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