2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
TL;DR: 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one (CAS 140413-07-6) is a chemical compound with molecular formula C13H9ClN2O2 and molecular weight 260.03525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-5-methylpyrido[2,3-b][1,4]benzoxazepin-6-one
Also Known As: 2Cl-5Me-PBOA-6one, 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one, 2-chloro-5-methylpyrido[2,3-b][1,4]benzoxazepin-6-one, 2-Chloro-5-methyl-pyrido[2,3-b][1,4]benzoxazepin-6(5H)-one, 2-chloro-5-methyl-pyrido[2,3-b][1,4]benzoxazepin-6-one
Technical Specifications
| Molecular Formula | C13H9ClN2O2 |
| Molecular Weight | 260.03525 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.03525 Da |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
| SMILES | CN1C2=C(N=C(C=C2)Cl)OC3=CC=CC=C3C1=O |
| InChIKey | JEMIRYVCXGWHLP-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
Property Insights of 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The CAS number of 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is 140413-07-6.
What is the molecular formula of 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The molecular formula of 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is C13H9ClN2O2.
What is the molecular weight of 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The molecular weight of 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is 260.03525 g/mol.
Where can I buy 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
You can request a quote for 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-5-methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.