![1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline structure](/static/products/3156/315682-87-2.webp)
1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
TL;DR: 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline (CAS 315682-87-2) is a chemical compound with molecular formula C18H14FN3S and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
Also Known As: 1-((2-fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline, F0863-0228, AF-399/15128466, 1-[(2-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinoline, 1-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLINE
| Molecular Formula | C18H14FN3S |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.08923 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 315682-87-2 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC4=CC=CC=C4F |
| InChIKey | IZNIDVBNZMLBJL-UHFFFAOYSA-N |
Product Overview
1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline (CAS 315682-87-2), with molecular formula C18H14FN3S and molecular weight 323.09 g/mol. IUPAC: 1-[(2-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinoline.
Chemical Property Profile of 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
Property Insights of 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
The XLogP value of 5.3 indicates that 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The CAS number of 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline is 315682-87-2.
What is the molecular formula of 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The molecular formula of 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline is C18H14FN3S.
What is the molecular weight of 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The molecular weight of 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline is 323.09 g/mol.
Where can I buy 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
You can request a quote for 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Fluorobenzyl)thio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.