![2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/5903/590359-73-2.webp)
2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 590359-73-2) is a chemical compound with molecular formula C18H16F2N4OS2 and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{4-(2,4-difluorophenyl)-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-ylthio} acetamide, 2-({5-[(benzylsulfanyl)methyl]-4-(2,4-difluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-{[5-[(BENZYLSULFANYL)METHYL]-4-(2,4-DIFLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
| Molecular Formula | C18H16F2N4OS2 |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 3.5563 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.07336 |
| Heavy Atoms | 27 |
| Complexity | 934.36597 |
Chemical Identifiers
| CAS Number | 590359-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=NN=C(N2C3=C(C=C(C=C3)F)F)SCC(=O)N |
Product Overview
2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 590359-73-2), with molecular formula C18H16F2N4OS2 and molecular weight 406.07 g/mol. IUPAC: 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 3.5563 indicates that 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-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-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-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-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is 590359-73-2.
What is the molecular formula of 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is C18H16F2N4OS2.
What is the molecular weight of 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is 406.07 g/mol.
Where can I buy 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-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-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(benzylsulfanylmethyl)-4-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.