TL;DR: 10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-thione (CAS 135810-43-4) is a chemical compound with molecular formula C16H15NOS and molecular weight 269.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-propylbenzo[b][1,4]benzoxazepine-6-thione
Also Known As: 10Pr-DBOA-11thione, Dibenzoxazepinone 13, 10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-thione, 5-propylbenzo[b][1,4]benzoxazepine-6-thione, 10-Propyldibenz[b,f][1,4]oxazepine-11(10H)-thione
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H15NOS |
| Molecular Weight | 269.08743 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.08743 Da |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
| SMILES | CCCN1C2=CC=CC=C2OC3=CC=CC=C3C1=S |
| InChIKey | TXMQRYDKMZURCW-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, 10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-thione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-thione is 135810-43-4.
The molecular formula of 10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-thione is C16H15NOS.
The molecular weight of 10-Propyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-thione is 269.08743 g/mol.
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