TL;DR: 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro- (CAS 15987-50-5) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,5-tetrahydro-3-benzazepin-4-one
Also Known As: 4,5-dihydro-1h-benzo[d]azepin-2(3h)-one, 1,3,4,5-Tetrahydro-2H-3-benzazepin-2-one, 1,2,3,5-tetrahydro-3-benzazepin-4-one, 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-, 8051AA
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.08406 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.08406 Da |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
| SMILES | C1CNC(=O)CC2=CC=CC=C21 |
| InChIKey | GYIYVTGAOWHWRI-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-. With a topological polar surface area (TPSA) of 29.1 Ų, 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro- has 1 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 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro- is 15987-50-5.
The molecular formula of 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro- is C10H11NO.
The molecular weight of 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro- is 161.08406 g/mol.
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