![5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole structure](/static/products/838/838897-72-6.png)
5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole
TL;DR: 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole (CAS 838897-72-6) is a chemical compound with molecular formula C17H13FN4S and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole
Also Known As: BAS 11174241, 5-benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole, 5-benzyl-8-fluoro-3-(methylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole, 5-benzyl-8-fluoro-3-(methylthio)-5H-[1,2,4]triazino[5,6-b]indole, 5-Benzyl-8-fluoro-3-methylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
| Molecular Formula | C17H13FN4S |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 3.8888 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.0845 |
| Heavy Atoms | 23 |
| Complexity | 997.75165 |
Chemical Identifiers
| CAS Number | 838897-72-6 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)F)N=N1 |
Product Overview
5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole (CAS 838897-72-6), with molecular formula C17H13FN4S and molecular weight 324.08 g/mol. IUPAC: 5-benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole
Property Insights of 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole
The XLogP value of 3.8888 indicates that 5-Benzyl-8-fluoro-3-methylsulfanyl-[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, 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole has 0 hydrogen bond donor(s) and 4 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 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole?
The CAS number of 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole is 838897-72-6.
What is the molecular formula of 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole?
The molecular formula of 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole is C17H13FN4S.
What is the molecular weight of 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole?
The molecular weight of 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole is 324.08 g/mol.
Where can I buy 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole?
You can request a quote for 5-Benzyl-8-fluoro-3-methylsulfanyl-[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 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-8-fluoro-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.