![3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole structure](/static/products/603/603948-08-9.png)
3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
TL;DR: 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole (CAS 603948-08-9) is a chemical compound with molecular formula C12H11FN4S and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indole
Also Known As: BAS 06019530, 2-Ethylsulfanyl-6-fluoro-9-methyl-9H-1,3,4,9-tetraaza-fluorene, 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole, 3-ethylsulfanyl-8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indole, 5H-1,2,4-Triazino[5,6-b]indole, 3-(ethylthio)-8-fluoro-5-methyl- (9CI)
| Molecular Formula | C12H11FN4S |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 2.7676 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.06885 |
| Heavy Atoms | 18 |
| Complexity | 737.5947 |
Chemical Identifiers
| CAS Number | 603948-08-9 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(N2C)C=CC(=C3)F)N=N1 |
Product Overview
3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole (CAS 603948-08-9), with molecular formula C12H11FN4S and molecular weight 262.07 g/mol. IUPAC: 3-ethylsulfanyl-8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Property Insights of 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
The XLogP value of 2.7676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole. With a topological polar surface area (TPSA) of 43.6 Ų, 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(ethylthio)-8-fluoro-5-methyl-5H-[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 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The CAS number of 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole is 603948-08-9.
What is the molecular formula of 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The molecular formula of 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole is C12H11FN4S.
What is the molecular weight of 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The molecular weight of 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole is 262.07 g/mol.
Where can I buy 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
You can request a quote for 3-(ethylthio)-8-fluoro-5-methyl-5H-[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 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(ethylthio)-8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.