TL;DR: 2-Amino-7,9,-dimethyl-10-ethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140413-00-9) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-amino-5-ethyl-2,4-dimethylbenzo[b][1,4]benzoxazepin-6-one
Also Known As: Dibenzoxazepinone 38, 2Am-7,9diMe-10Et-DBOA-11one, 2-Amino-7,9,-dimethyl-10-ethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one, 8-amino-5-ethyl-2,4-dimethylbenzo[b][1,4]benzoxazepin-6-one, 8-amino-5-ethyl-2,4-dimethyl-benzo[b][1,4]benzoxazepin-6-one
| Molecular Formula | C17H18N2O2 |
| Molecular Weight | 282.13684 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.13684 Da |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
| SMILES | CCN1C2=C(C=C(C=C2OC3=C(C1=O)C=C(C=C3)N)C)C |
| InChIKey | KGWRKSLKDXAWRK-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 2-Amino-7,9,-dimethyl-10-ethyl-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-7,9,-dimethyl-10-ethyl-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-7,9,-dimethyl-10-ethyl-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-7,9,-dimethyl-10-ethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 140413-00-9.
The molecular formula of 2-Amino-7,9,-dimethyl-10-ethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is C17H18N2O2.
The molecular weight of 2-Amino-7,9,-dimethyl-10-ethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 282.13684 g/mol.
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