![2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide structure](/static/products/5786/578698-47-2.webp)
2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
TL;DR: 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide (CAS 578698-47-2) is a chemical compound with molecular formula C20H15FN4OS2 and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide, A3130/0132380, 2-((4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide, 2-[[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
| Molecular Formula | C20H15FN4OS2 |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 4.8657 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.06714 |
| Heavy Atoms | 28 |
| Complexity | 1063.5559 |
Chemical Identifiers
| CAS Number | 578698-47-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=CS4 |
Product Overview
2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide (CAS 578698-47-2), with molecular formula C20H15FN4OS2 and molecular weight 410.07 g/mol. IUPAC: 2-[[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Property Insights of 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
The XLogP value of 4.8657 indicates that 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide 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-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide 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-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide?
The CAS number of 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide is 578698-47-2.
What is the molecular formula of 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide?
The molecular formula of 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide is C20H15FN4OS2.
What is the molecular weight of 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide?
The molecular weight of 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide is 410.07 g/mol.
Where can I buy 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide?
You can request a quote for 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.