![1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone structure](/static/products/4284/428481-40-7.webp)
1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
TL;DR: 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone (CAS 428481-40-7) is a chemical compound with molecular formula C19H15N5O5S and molecular weight 425.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(2-hydroxy-5-nitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
| Molecular Formula | C19H15N5O5S |
|---|---|
| Molecular Weight | 425.08 g/mol |
| LogP | 3.3184 |
| Topological Polar Surface Area | 131.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.07938 |
| Heavy Atoms | 30 |
| Complexity | 1171.8021 |
Chemical Identifiers
| CAS Number | 428481-40-7 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)[N+](=O)[O-])O |
Product Overview
1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone (CAS 428481-40-7), with molecular formula C19H15N5O5S and molecular weight 425.08 g/mol. IUPAC: 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Property Insights of 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
The XLogP value of 3.3184 indicates that 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone. Following Lipinski's Rule of Five, 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone has 1 hydrogen bond donor(s) and 9 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-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone?
The CAS number of 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone is 428481-40-7.
What is the molecular formula of 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone?
The molecular formula of 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone is C19H15N5O5S.
What is the molecular weight of 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone?
The molecular weight of 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone is 425.08 g/mol.
Where can I buy 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone?
You can request a quote for 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-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-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[6-(2-hydroxy-5-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.