3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole
TL;DR: 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 863002-17-9) is a chemical compound with molecular formula C19H17FN4S and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1H-indole
Also Known As: F0653-0212, 3-(4-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1H-indole, 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole, (3Z)-3-[4-ethyl-3-[(3-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole, 3-[4-ethyl-3-[(3-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole
| Molecular Formula | C19H17FN4S |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 4.8777 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.11578 |
| Heavy Atoms | 25 |
| Complexity | 1021.1263 |
Chemical Identifiers
| CAS Number | 863002-17-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)F)C3=CNC4=CC=CC=C43 |
Product Overview
3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 863002-17-9), with molecular formula C19H17FN4S and molecular weight 352.12 g/mol. IUPAC: 3-[4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1H-indole.
Chemical Property Profile of 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole
Property Insights of 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole
The XLogP value of 4.8777 indicates that 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole 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 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The CAS number of 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is 863002-17-9.
What is the molecular formula of 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular formula of 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is C19H17FN4S.
What is the molecular weight of 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular weight of 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is 352.12 g/mol.
Where can I buy 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
You can request a quote for 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.