![3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole structure](/static/products/956/956961-74-3.png)
3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
TL;DR: 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole (CAS 956961-74-3) is a chemical compound with molecular formula C19H16Cl2F3N3O2S and molecular weight 477.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfinyl]-4-ethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
Also Known As: 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole, 10R-1248, 3-[(3,4-dichlorophenyl)methylsulfinyl]-4-ethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole, 3-[(3,4-dichlorophenyl)methanesulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole, 3,4-DICHLOROBENZYL 4-ETHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOL-3-YL SULFOXIDE
| Molecular Formula | C19H16Cl2F3N3O2S |
|---|---|
| Molecular Weight | 477.03 g/mol |
| LogP | 5.5104 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.02924 |
| Heavy Atoms | 30 |
| Complexity | 1073.4185 |
Chemical Identifiers
| CAS Number | 956961-74-3 |
|---|---|
| SMILES | CCN1C(=NN=C1S(=O)CC2=CC(=C(C=C2)Cl)Cl)COC3=CC=CC(=C3)C(F)(F)F |
Product Overview
3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole (CAS 956961-74-3), with molecular formula C19H16Cl2F3N3O2S and molecular weight 477.03 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfinyl]-4-ethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole.
Chemical Property Profile of 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
Property Insights of 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
The XLogP value of 5.5104 indicates that 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-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 57.01 Ų, 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole?
The CAS number of 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole is 956961-74-3.
What is the molecular formula of 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole?
The molecular formula of 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole is C19H16Cl2F3N3O2S.
What is the molecular weight of 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole?
The molecular weight of 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole is 477.03 g/mol.
Where can I buy 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole?
You can request a quote for 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-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-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dichlorobenzyl)sulfinyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.