![1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone structure](/static/products/4304/430463-84-6.webp)
1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
TL;DR: 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone (CAS 430463-84-6) is a chemical compound with molecular formula C21H19ClN4O4S and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 7-acetyl-6-(5-chloro-2,3-dimethoxyphenyl)-3-(methylthio)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C21H19ClN4O4S |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 4.3752 |
| Topological Polar Surface Area | 86.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.08154 |
| Heavy Atoms | 31 |
| Complexity | 1160.2188 |
Chemical Identifiers
| CAS Number | 430463-84-6 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C(=CC(=C4)Cl)OC)OC |
Product Overview
1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone (CAS 430463-84-6), with molecular formula C21H19ClN4O4S and molecular weight 458.08 g/mol. IUPAC: 1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Property Insights of 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
The XLogP value of 4.3752 indicates that 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone. Following Lipinski's Rule of Five, 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone?
The CAS number of 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone is 430463-84-6.
What is the molecular formula of 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone?
The molecular formula of 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone is C21H19ClN4O4S.
What is the molecular weight of 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone?
The molecular weight of 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone is 458.08 g/mol.
Where can I buy 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone?
You can request a quote for 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[6-(5-Chloro-2,3-dimethoxyphenyl)-3-(methylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.