7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
TL;DR: 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-31-6) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.09537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxylate
Also Known As: Pyridobenzoxazepinone 80, 7MeOCO-6,9-diMe-PBOA-5one, 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one, methyl 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxylate, 7-Methoxycarbonyl-6,9-dimethyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Technical Specifications
| Molecular Formula | C16H14N2O4 |
| Molecular Weight | 298.09537 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.09537 Da |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
| SMILES | CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)C(=O)OC |
| InChIKey | MJMDFEZUPZGSHT-UHFFFAOYSA-N |
Chemical Property Profile of 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
Property Insights of 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. Following Lipinski's Rule of Five, 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The CAS number of 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 140413-31-6.
What is the molecular formula of 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular formula of 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is C16H14N2O4.
What is the molecular weight of 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular weight of 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 298.09537 g/mol.
Where can I buy 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
You can request a quote for 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
Yes, CoreyChem provides custom synthesis services for 7-Methoxycarbonyl-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.