6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
TL;DR: 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-36-1) is a chemical compound with molecular formula C15H14N2O4S and molecular weight 318.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,9-dimethyl-7-methylsulfonylpyrido[2,3-b][1,5]benzoxazepin-5-one
Also Known As: 6,9-diMe-7MeSO2-PBOA-5one, 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one, 6,9-Dimethyl-7-methylsulfonyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 6,9-dimethyl-7-methylsulfonylpyrido[2,3-b][1,5]benzoxazepin-5-one, 6,9-dimethyl-7-methylsulfonyl-pyrido[2,3-b][1,5]benzoxazepin-5-one
Technical Specifications
| Molecular Formula | C15H14N2O4S |
| Molecular Weight | 318.0674 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.0674 Da |
| Heavy Atoms | 22 |
| Complexity | 544.0 |
| SMILES | CC1=CC2=C(C(=C1)S(=O)(=O)C)N(C(=O)C3=C(O2)N=CC=C3)C |
| InChIKey | PFMAHKVRYQKRBY-UHFFFAOYSA-N |
Chemical Property Profile of 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
Property Insights of 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. Following Lipinski's Rule of Five, 6,9-Dimethyl-7-methylsulfonyl-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 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The CAS number of 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 140413-36-1.
What is the molecular formula of 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular formula of 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is C15H14N2O4S.
What is the molecular weight of 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular weight of 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 318.0674 g/mol.
Where can I buy 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
You can request a quote for 6,9-Dimethyl-7-methylsulfonyl-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 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
Yes, CoreyChem provides custom synthesis services for 6,9-Dimethyl-7-methylsulfonyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.