![4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole structure](/static/products/866/866152-92-3.png)
4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole
TL;DR: 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 866152-92-3) is a chemical compound with molecular formula C18H15F4N3S and molecular weight 381.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole
Also Known As: 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole, 4-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole, 4-[(4-fluorophenyl)methyl]-3-{[(4-methylphenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazole
| Molecular Formula | C18H15F4N3S |
|---|---|
| Molecular Weight | 381.09 g/mol |
| LogP | 5.08502 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.0923 |
| Heavy Atoms | 26 |
| Complexity | 870.947 |
Chemical Identifiers
| CAS Number | 866152-92-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)F)C(F)(F)F |
Product Overview
4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 866152-92-3), with molecular formula C18H15F4N3S and molecular weight 381.09 g/mol. IUPAC: 4-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole.
Chemical Property Profile of 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole
Property Insights of 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole
The XLogP value of 5.08502 indicates that 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-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, 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-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 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole?
The CAS number of 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole is 866152-92-3.
What is the molecular formula of 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole?
The molecular formula of 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole is C18H15F4N3S.
What is the molecular weight of 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole?
The molecular weight of 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole is 381.09 g/mol.
Where can I buy 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole?
You can request a quote for 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-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 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-fluorobenzyl)-3-[(4-methylbenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.