![2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol structure](/static/products/354/354540-24-2.png)
2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
TL;DR: 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol (CAS 354540-24-2) is a chemical compound with molecular formula C20H17Br3N4O2S and molecular weight 613.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Also Known As: 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol, 2,4,6-tribromo-3-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
| Molecular Formula | C20H17Br3N4O2S |
|---|---|
| Molecular Weight | 613.86 g/mol |
| LogP | 6.927 |
| Topological Polar Surface Area | 80.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 613.86224 |
| Heavy Atoms | 30 |
| Complexity | 1099.887 |
Chemical Identifiers
| CAS Number | 354540-24-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C(=C(C=C4Br)Br)O)Br)N=N1 |
Product Overview
2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol (CAS 354540-24-2), with molecular formula C20H17Br3N4O2S and molecular weight 613.86 g/mol. IUPAC: 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol.
Chemical Property Profile of 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Property Insights of 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
The XLogP value of 6.927 indicates that 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol. Following Lipinski's Rule of Five, 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol?
The CAS number of 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol is 354540-24-2.
What is the molecular formula of 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol?
The molecular formula of 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol is C20H17Br3N4O2S.
What is the molecular weight of 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol?
The molecular weight of 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol is 613.86 g/mol.
Where can I buy 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol?
You can request a quote for 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-tribromo-3-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.