![5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol structure](/static/products/7082/708248-27-5.webp)
5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
TL;DR: 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 708248-27-5) is a chemical compound with molecular formula C16H11FN4S and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-8-fluoro-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, BAS 08330042, 5-benzyl-8-fluoro-2H-[1,2,4]triazino[5,6-b]indole-3-thione, AP-355/43478725, 5-benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide
| Molecular Formula | C16H11FN4S |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 3.82949 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.06885 |
| Heavy Atoms | 22 |
| Complexity | 1036.5717 |
Chemical Identifiers
| CAS Number | 708248-27-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)F)C4=NNC(=S)N=C42 |
Product Overview
5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 708248-27-5), with molecular formula C16H11FN4S and molecular weight 310.07 g/mol. IUPAC: 5-benzyl-8-fluoro-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Property Insights of 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
The XLogP value of 3.82949 indicates that 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol has 1 hydrogen bond donor(s) and 3 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-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The CAS number of 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 708248-27-5.
What is the molecular formula of 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular formula of 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is C16H11FN4S.
What is the molecular weight of 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular weight of 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 310.07 g/mol.
Where can I buy 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
You can request a quote for 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol 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-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.