TL;DR: 10-Hydroxy-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140412-84-6) is a chemical compound with molecular formula C13H9NO3 and molecular weight 227.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxybenzo[b][1,4]benzoxazepin-6-one
Also Known As: 10OH-DBOA-11one, 10-Hydroxy-dibenz(b,f)(1,4)oxazepin-11-(10H)-one, 5-hydroxybenzo[b][1,4]benzoxazepin-6-one, 10-Hydroxydibenz[b,f][1,4]oxazepin-11(10H)-one, 10-Hydroxy-dibenz[b,f][1,4]oxazepin-11-(10H)-one
| Molecular Formula | C13H9NO3 |
| Molecular Weight | 227.05824 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.05824 Da |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C3=CC=CC=C3O2)O |
| InChIKey | IYEXXADTHNOPNN-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Hydroxy-dibenz(b,f)(1,4)oxazepin-11-(10H)-one. With a topological polar surface area (TPSA) of 49.8 Ų, 10-Hydroxy-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, 10-Hydroxy-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 10-Hydroxy-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 140412-84-6.
The molecular formula of 10-Hydroxy-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is C13H9NO3.
The molecular weight of 10-Hydroxy-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 227.05824 g/mol.
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