TL;DR: 2-Amino-8,9-dimethyl-10-propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140412-96-0) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-amino-3,4-dimethyl-5-propylbenzo[b][1,4]benzoxazepin-6-one
Also Known As: Dibenzoxazepinone 35, 2Am-8,9diMe-10Pr-DBOA-11one, 2-Amino-8,9-dimethyl-10-propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one, 8-amino-3,4-dimethyl-5-propylbenzo[b][1,4]benzoxazepin-6-one, 8-amino-3,4-dimethyl-5-propyl-benzo[b][1,4]benzoxazepin-6-one
| Molecular Formula | C18H20N2O2 |
| Molecular Weight | 296.15247 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.15247 Da |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
| SMILES | CCCN1C2=C(C=CC(=C2C)C)OC3=C(C1=O)C=C(C=C3)N |
| InChIKey | MZLWHKPSWKYJAX-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2-Amino-8,9-dimethyl-10-propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, 2-Amino-8,9-dimethyl-10-propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-8,9-dimethyl-10-propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Amino-8,9-dimethyl-10-propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 140412-96-0.
The molecular formula of 2-Amino-8,9-dimethyl-10-propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is C18H20N2O2.
The molecular weight of 2-Amino-8,9-dimethyl-10-propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 296.15247 g/mol.
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