![5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine structure](/static/products/6762/676246-70-1.webp)
5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine
TL;DR: 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine (CAS 676246-70-1) 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-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine
Also Known As: 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine, 3-((2-chloro-6-fluorobenzyl)thio)-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine, 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine
| 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 | 832.99335 |
Chemical Identifiers
| CAS Number | 676246-70-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F)F |
Product Overview
5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine (CAS 676246-70-1), with molecular formula C15H11ClF2N4S and molecular weight 352.04 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine
Property Insights of 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine
The XLogP value of 3.8828 indicates that 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl 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, 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl 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 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine?
The CAS number of 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine is 676246-70-1.
What is the molecular formula of 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine?
The molecular formula of 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine is C15H11ClF2N4S.
What is the molecular weight of 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine?
The molecular weight of 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine is 352.04 g/mol.
Where can I buy 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine?
You can request a quote for 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-1,2,4-triazole-4-yl amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.