![[3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate structure](/static/products/4262/426244-37-3.webp)
[3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate
TL;DR: [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate (CAS 426244-37-3) is a chemical compound with molecular formula C21H17N5O6S and molecular weight 467.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate
Also Known As: [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate, 3-(7-acetyl-3-(methylthio)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)-4-nitrophenyl acetate, 3-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-nitrophenyl acetate
| Molecular Formula | C21H17N5O6S |
|---|---|
| Molecular Weight | 467.09 g/mol |
| LogP | 3.5381 |
| Topological Polar Surface Area | 137.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.08997 |
| Heavy Atoms | 33 |
| Complexity | 1283.7501 |
Chemical Identifiers
| CAS Number | 426244-37-3 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)OC(=O)C)[N+](=O)[O-] |
Product Overview
[3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate (CAS 426244-37-3), with molecular formula C21H17N5O6S and molecular weight 467.09 g/mol. IUPAC: [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate.
Chemical Property Profile of [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate
Property Insights of [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate
The XLogP value of 3.5381 indicates that [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.65 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate. Following Lipinski's Rule of Five, [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate has 0 hydrogen bond donor(s) and 10 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 [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate?
The CAS number of [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate is 426244-37-3.
What is the molecular formula of [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate?
The molecular formula of [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate is C21H17N5O6S.
What is the molecular weight of [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate?
The molecular weight of [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate is 467.09 g/mol.
Where can I buy [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate?
You can request a quote for [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-nitrophenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.