![2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide structure](/static/products/849/849006-77-5.png)
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
TL;DR: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide (CAS 849006-77-5) is a chemical compound with molecular formula C26H25FN4OS and molecular weight 460.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide, 2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide, 2-{5-[4-(tert-butyl)phenyl]-4-phenyl(1,2,4-triazol-3-ylthio)}-N-(2-fluoropheny l)acetamide, N-(2-fluorophenyl)-2-[[4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C26H25FN4OS |
|---|---|
| Molecular Weight | 460.17 g/mol |
| LogP | 6.1017 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.1733 |
| Heavy Atoms | 33 |
| Complexity | 1247.5344 |
Chemical Identifiers
| CAS Number | 849006-77-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4F |
Product Overview
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide (CAS 849006-77-5), with molecular formula C26H25FN4OS and molecular weight 460.17 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Property Insights of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
The XLogP value of 6.1017 indicates that 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)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-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide has 1 hydrogen bond donor(s) and 4 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-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
The CAS number of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is 849006-77-5.
What is the molecular formula of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
The molecular formula of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is C26H25FN4OS.
What is the molecular weight of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
The molecular weight of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is 460.17 g/mol.
Where can I buy 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
You can request a quote for 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)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-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.