![4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole structure](/static/products/955/955976-67-7.png)
4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
TL;DR: 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole (CAS 955976-67-7) is a chemical compound with molecular formula C20H20F3N3O2S and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
Also Known As: 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole, 10R-1251, 4-ethyl-3-[(4-methylbenzyl)sulfinyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole, 4-ethyl-3-[(4-methylphenyl)methanesulfinyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole, 4-ETHYL-3-[(4-METHYLBENZYL)SULFINYL]-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE
| Molecular Formula | C20H20F3N3O2S |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 4.51202 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.12283 |
| Heavy Atoms | 29 |
| Complexity | 1000.9512 |
Chemical Identifiers
| CAS Number | 955976-67-7 |
|---|---|
| SMILES | CCN1C(=NN=C1S(=O)CC2=CC=C(C=C2)C)COC3=CC=CC(=C3)C(F)(F)F |
Product Overview
4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole (CAS 955976-67-7), with molecular formula C20H20F3N3O2S and molecular weight 423.12 g/mol. IUPAC: 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole.
Chemical Property Profile of 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
Property Insights of 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
The XLogP value of 4.51202 indicates that 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-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 57.01 Ų, 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole has 0 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 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole?
The CAS number of 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole is 955976-67-7.
What is the molecular formula of 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole?
The molecular formula of 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole is C20H20F3N3O2S.
What is the molecular weight of 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole?
The molecular weight of 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole is 423.12 g/mol.
Where can I buy 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole?
You can request a quote for 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-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-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-3-[(4-methylphenyl)methylsulfinyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.