![3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole structure](/static/products/4991/499182-76-2.webp)
3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole
TL;DR: 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole (CAS 499182-76-2) is a chemical compound with molecular formula C22H17ClFN3S and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole
Also Known As: 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole, 3-(4-CHLOROPHENYL)-5-((4-FLUOROBENZYL)THIO)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE, 3-(4-chlorophenyl)-5-((4-fluorobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazole, 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole, 5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-tri azole
| Molecular Formula | C22H17ClFN3S |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 6.32752 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.08157 |
| Heavy Atoms | 28 |
| Complexity | 1074.4823 |
Chemical Identifiers
| CAS Number | 499182-76-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole (CAS 499182-76-2), with molecular formula C22H17ClFN3S and molecular weight 409.08 g/mol. IUPAC: 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole
Property Insights of 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole
The XLogP value of 6.32752 indicates that 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-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-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-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-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-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-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole?
The CAS number of 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole is 499182-76-2.
What is the molecular formula of 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole?
The molecular formula of 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole is C22H17ClFN3S.
What is the molecular weight of 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole?
The molecular weight of 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole is 409.08 g/mol.
Where can I buy 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole?
You can request a quote for 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-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-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.