![5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol structure](/static/products/797/797774-97-1.png)
5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
TL;DR: 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 797774-97-1) is a chemical compound with molecular formula C11H9FN4S and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-8-fluoro-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, BAS 08330039, 5-ethyl-8-fluoro-2H-[1,2,4]triazino[5,6-b]indole-3-thione, AP-355/43478723
| Molecular Formula | C11H9FN4S |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | 2.80109 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.05319 |
| Heavy Atoms | 17 |
| Complexity | 774.0733 |
Chemical Identifiers
| CAS Number | 797774-97-1 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)F)C3=NNC(=S)N=C31 |
Product Overview
5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 797774-97-1), with molecular formula C11H9FN4S and molecular weight 248.05 g/mol. IUPAC: 5-ethyl-8-fluoro-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Property Insights of 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
The XLogP value of 2.80109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Ethyl-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-Ethyl-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-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The CAS number of 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 797774-97-1.
What is the molecular formula of 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular formula of 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is C11H9FN4S.
What is the molecular weight of 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular weight of 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 248.05 g/mol.
Where can I buy 5-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
You can request a quote for 5-Ethyl-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-Ethyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-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.