![N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/5255/525582-97-2.webp)
N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 525582-97-2) is a chemical compound with molecular formula C20H14BrFN4OS2 and molecular weight 487.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-((4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-bromophenyl)-2-[[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromophenyl)-2-[4-(4-fluorophenyl)-5-(2-thienyl)(1,2,4-triazol-3-ylthio)] acetamide, N-(4-BROMOPHENYL)-2-{[4-(4-FLUOROPHENYL)-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
| Molecular Formula | C20H14BrFN4OS2 |
|---|---|
| Molecular Weight | 487.98 g/mol |
| LogP | 5.6282 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.97763 |
| Heavy Atoms | 29 |
| Complexity | 1112.611 |
Chemical Identifiers
| CAS Number | 525582-97-2 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=CC=C(C=C4)Br |
Product Overview
N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 525582-97-2), with molecular formula C20H14BrFN4OS2 and molecular weight 487.98 g/mol. IUPAC: N-(4-bromophenyl)-2-[[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 5.6282 indicates that N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}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, N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 525582-97-2.
What is the molecular formula of N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C20H14BrFN4OS2.
What is the molecular weight of N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 487.98 g/mol.
Where can I buy N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-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 N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.