3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine
TL;DR: 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 577790-80-8) is a chemical compound with molecular formula C15H11ClF2N4S and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine, 3-(4-chlorophenyl)-5-[(2,6-difluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, 3-(4-chlorophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-[(2,6-difluorophenyl)methylthio]-5-(4-chlorophenyl)-1,2,4-triazole-4-ylamine, 657-497-8
| Molecular Formula | C15H11ClF2N4S |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 3.8828 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.0361 |
| Heavy Atoms | 23 |
| Complexity | 815.74335 |
Chemical Identifiers
| CAS Number | 577790-80-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl)F |
Product Overview
3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 577790-80-8), with molecular formula C15H11ClF2N4S and molecular weight 352.04 g/mol. IUPAC: 3-(4-chlorophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine
Property Insights of 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine
The XLogP value of 3.8828 indicates that 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine has 1 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-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine is 577790-80-8.
What is the molecular formula of 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine is C15H11ClF2N4S.
What is the molecular weight of 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine is 352.04 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.