2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
TL;DR: 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one (CAS 134369-51-0) is a chemical compound with molecular formula C15H13ClN2O2S and molecular weight 320.03864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-5-(2-methylsulfanylethyl)pyrido[2,3-b][1,4]benzoxazepin-6-one
Also Known As: 2Cl-5MeSEt-PBOA-6one, Pyridobenzoxazepinone 49, 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one, 2-chloro-5-(2-methylsulfanylethyl)pyrido[2,3-b][1,4]benzoxazepin-6-one, 2-Chloro-5-(methylthioethyl)-pyrido[2,3-b][1,4]benzoxazepin-6(5H)-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H13ClN2O2S |
| Molecular Weight | 320.03864 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.03864 Da |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
| SMILES | CSCCN1C2=C(N=C(C=C2)Cl)OC3=CC=CC=C3C1=O |
| InChIKey | IOWSBZYCNNDVIQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
Property Insights of 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
The XLogP value of 3.4 indicates that 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one. Following Lipinski's Rule of Five, 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one has 0 hydrogen bond donor(s) and 4 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-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The CAS number of 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is 134369-51-0.
What is the molecular formula of 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The molecular formula of 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is C15H13ClN2O2S.
What is the molecular weight of 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The molecular weight of 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is 320.03864 g/mol.
Where can I buy 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
You can request a quote for 2-Chloro-5-(methylthioethyl)-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-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-5-(methylthioethyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.