![8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol structure](/static/products/7082/708226-67-9.webp)
8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
TL;DR: 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 708226-67-9) 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.
8-fluoro-5-(2-phenylethyl)-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: BAS 08330043, 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, 8-fluoro-5-(2-phenylethyl)-2H-[1,2,4]triazino[5,6-b]indole-3-thione, 8-fluoro-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, AO-022/43453412
| Molecular Formula | C17H13FN4S |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 4.02389 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.0845 |
| Heavy Atoms | 23 |
| Complexity | 1052.7614 |
Chemical Identifiers
| CAS Number | 708226-67-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)F)C4=NNC(=S)N=C42 |
Product Overview
8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 708226-67-9), with molecular formula C17H13FN4S and molecular weight 324.08 g/mol. IUPAC: 8-fluoro-5-(2-phenylethyl)-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Property Insights of 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
The XLogP value of 4.02389 indicates that 8-Fluoro-5-phenethyl-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, 8-Fluoro-5-phenethyl-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, 8-Fluoro-5-phenethyl-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 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The CAS number of 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 708226-67-9.
What is the molecular formula of 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular formula of 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is C17H13FN4S.
What is the molecular weight of 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular weight of 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 324.08 g/mol.
Where can I buy 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
You can request a quote for 8-Fluoro-5-phenethyl-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 8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 8-Fluoro-5-phenethyl-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.