3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole
TL;DR: 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole (CAS 477331-50-3) is a chemical compound with molecular formula C22H16Cl2FN3S and molecular weight 443.04 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-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole
Also Known As: 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole, 3-((2-Chloro-6-fluorobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole, 3-((2-CL-6-FLUOROBENZYL)THIO)-5-(4-CL-PH)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE, 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole
| Molecular Formula | C22H16Cl2FN3S |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 6.98092 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.0426 |
| Heavy Atoms | 29 |
| Complexity | 1121.6936 |
Chemical Identifiers
| CAS Number | 477331-50-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)Cl |
Product Overview
3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole (CAS 477331-50-3), with molecular formula C22H16Cl2FN3S and molecular weight 443.04 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole
Property Insights of 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole
The XLogP value of 6.98092 indicates that 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole?
The CAS number of 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole is 477331-50-3.
What is the molecular formula of 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole?
The molecular formula of 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole is C22H16Cl2FN3S.
What is the molecular weight of 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole?
The molecular weight of 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole is 443.04 g/mol.
Where can I buy 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole?
You can request a quote for 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-CL-6-Fluorobenzyl)thio)-5-(4-CL-PH)-4-(4-methylphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.