![8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole structure](/static/products/313/313666-78-3.png)
8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
TL;DR: 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole (CAS 313666-78-3) is a chemical compound with molecular formula C17H12Br2N4S and molecular weight 461.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-[(4-bromophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazino[5,6-b]indole
Also Known As: 8-bromo-3-((4-bromobenzyl)thio)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole, 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole, 8-bromo-3-[(4-bromophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazino[5,6-b]indole
| Molecular Formula | C17H12Br2N4S |
|---|---|
| Molecular Weight | 461.91 g/mol |
| LogP | 5.3338 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.91495 |
| Heavy Atoms | 24 |
| Complexity | 1044.0165 |
Chemical Identifiers
| CAS Number | 313666-78-3 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)SCC4=CC=C(C=C4)Br |
Product Overview
8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole (CAS 313666-78-3), with molecular formula C17H12Br2N4S and molecular weight 461.91 g/mol. IUPAC: 8-bromo-3-[(4-bromophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Property Insights of 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
The XLogP value of 5.3338 indicates that 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The CAS number of 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole is 313666-78-3.
What is the molecular formula of 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The molecular formula of 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole is C17H12Br2N4S.
What is the molecular weight of 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The molecular weight of 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole is 461.91 g/mol.
Where can I buy 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
You can request a quote for 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-3-[(4-bromobenzyl)sulfanyl]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.