TL;DR: 6,9-Dimethyl-7-hydroxymethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-35-0) is a chemical compound with molecular formula C15H14N2O3 and molecular weight 270.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(hydroxymethyl)-6,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5-one
Also Known As: 6,9-diMe-7MeOH-PBOA-5one, 6,9-Dimethyl-7-hydroxymethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one, 7-(hydroxymethyl)-6,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5-one, Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one,7-(hydroxymethyl)-6,9-dimethyl-, 6,9-Dimethyl-7-hydroxymethyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
| Molecular Formula | C15H14N2O3 |
| Molecular Weight | 270.10043 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.10043 Da |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
| SMILES | CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)CO |
| InChIKey | KDRBBTACRJGQHR-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,9-Dimethyl-7-hydroxymethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,9-Dimethyl-7-hydroxymethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. Following Lipinski's Rule of Five, 6,9-Dimethyl-7-hydroxymethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6,9-Dimethyl-7-hydroxymethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 140413-35-0.
The molecular formula of 6,9-Dimethyl-7-hydroxymethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is C15H14N2O3.
The molecular weight of 6,9-Dimethyl-7-hydroxymethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 270.10043 g/mol.
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