![2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/5903/590360-19-3.webp)
2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 590360-19-3) is a chemical compound with molecular formula C19H17F3N4OS2 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[5-(benzylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-({5-[(benzylthio)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetamide, 2-[[5-[[(Phenylmethyl)thio]methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]acetamide, 2-{5-[(phenylmethylthio)methyl]-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3- ylthio}acetamide
| Molecular Formula | C19H17F3N4OS2 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 4.2969 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.0796 |
| Heavy Atoms | 29 |
| Complexity | 977.08563 |
Chemical Identifiers
| CAS Number | 590360-19-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=NN=C(N2C3=CC=CC=C3C(F)(F)F)SCC(=O)N |
Product Overview
2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 590360-19-3), with molecular formula C19H17F3N4OS2 and molecular weight 438.08 g/mol. IUPAC: 2-[[5-(benzylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 4.2969 indicates that 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide has 1 hydrogen bond donor(s) and 5 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 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 590360-19-3.
What is the molecular formula of 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C19H17F3N4OS2.
What is the molecular weight of 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 438.08 g/mol.
Where can I buy 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)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-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(benzylsulfanyl)methyl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.