![3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine structure](/static/products/5779/577960-59-9.webp)
3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine
TL;DR: 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine (CAS 577960-59-9) is a chemical compound with molecular formula C16H14ClFN4S and molecular weight 348.06 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-(3-methylphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine, 3-((2-chloro-6-fluorobenzyl)thio)-5-(m-tolyl)-4H-1,2,4-triazol-4-amine, 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(3-methylphenyl)-4H-1,2,4-triazol-4-amine, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine
| Molecular Formula | C16H14ClFN4S |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 4.05212 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0612 |
| Heavy Atoms | 23 |
| Complexity | 829.5967 |
Chemical Identifiers
| CAS Number | 577960-59-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F |
Product Overview
3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine (CAS 577960-59-9), with molecular formula C16H14ClFN4S and molecular weight 348.06 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine
Property Insights of 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine
The XLogP value of 4.05212 indicates that 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-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, 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-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 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine?
The CAS number of 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine is 577960-59-9.
What is the molecular formula of 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine?
The molecular formula of 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine is C16H14ClFN4S.
What is the molecular weight of 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine?
The molecular weight of 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine is 348.06 g/mol.
Where can I buy 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine?
You can request a quote for 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-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 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole-4-yl amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.