![2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE structure](/static/products/5398/539809-29-5.webp)
2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
TL;DR: 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE (CAS 539809-29-5) is a chemical compound with molecular formula C25H21F3N4OS2 and molecular weight 514.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE, 2-((4-Phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-((5-(((4-METHYLPHENYL)SULFANYL)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-(TRIFLUOROMETHYL)PHENYL)ACETAMIDE, 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 644-691-2
| Molecular Formula | C25H21F3N4OS2 |
|---|---|
| Molecular Weight | 514.11 g/mol |
| LogP | 6.61762 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.1109 |
| Heavy Atoms | 35 |
| Complexity | 1292.3223 |
Chemical Identifiers
| CAS Number | 539809-29-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE (CAS 539809-29-5), with molecular formula C25H21F3N4OS2 and molecular weight 514.11 g/mol. IUPAC: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
Property Insights of 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
The XLogP value of 6.61762 indicates that 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE?
The CAS number of 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE is 539809-29-5.
What is the molecular formula of 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE?
The molecular formula of 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE is C25H21F3N4OS2.
What is the molecular weight of 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE?
The molecular weight of 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE is 514.11 g/mol.
Where can I buy 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE?
You can request a quote for 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.