![2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone structure](/static/products/6262/626212-80-4.webp)
2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone
TL;DR: 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone (CAS 626212-80-4) is a chemical compound with molecular formula C18H13BrN4OS and molecular weight 412.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone
Also Known As: BAS 06016548, 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone, 2-(6-Bromo-9-methyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-1-phenyl-ethanone, 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone, 2-[(8-Bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethan-1-one
| Molecular Formula | C18H13BrN4OS |
|---|---|
| Molecular Weight | 412.00 g/mol |
| LogP | 4.254 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.99933 |
| Heavy Atoms | 25 |
| Complexity | 1094.5826 |
Chemical Identifiers
| CAS Number | 626212-80-4 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)SCC(=O)C4=CC=CC=C4 |
Product Overview
2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone (CAS 626212-80-4), with molecular formula C18H13BrN4OS and molecular weight 412.00 g/mol. IUPAC: 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone
Property Insights of 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone
The XLogP value of 4.254 indicates that 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone. Following Lipinski's Rule of Five, 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone has 0 hydrogen bond donor(s) and 5 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 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone?
The CAS number of 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone is 626212-80-4.
What is the molecular formula of 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone?
The molecular formula of 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone is C18H13BrN4OS.
What is the molecular weight of 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone?
The molecular weight of 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone is 412.00 g/mol.
Where can I buy 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone?
You can request a quote for 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(8-Bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.