TL;DR: 7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-32-7) is a chemical compound with molecular formula C15H13N3O3 and molecular weight 283.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxamide
Also Known As: 7NH2CO-6,9-diMe-PBOA-5one, 7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one, 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxamide, 6,9-dimethyl-5-oxo-pyrido[2,3-b][1,5]benzoxazepine-7-carboxamide, Pyrido[2,3-b][1,5]benzoxazepine-7-carboxamide,5,6-dihydro-6,9-dimethyl-5-oxo-
| Molecular Formula | C15H13N3O3 |
| Molecular Weight | 283.0957 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.0957 Da |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
| SMILES | CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)C(=O)N |
| InChIKey | DHIHZKCNOJLXKW-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. Following Lipinski's Rule of Five, 7-Carbamoyl-6,9-dimethyl-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 7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 140413-32-7.
The molecular formula of 7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is C15H13N3O3.
The molecular weight of 7-Carbamoyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 283.0957 g/mol.
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