![2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide structure](/static/products/6932/693239-57-5.webp)
2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
TL;DR: 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide (CAS 693239-57-5) is a chemical compound with molecular formula C26H25FN4O4S and molecular weight 508.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide, 2-((4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide, 2-[[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide, 2-[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4 -methylphenyl)acetamide
| Molecular Formula | C26H25FN4O4S |
|---|---|
| Molecular Weight | 508.16 g/mol |
| LogP | 5.13842 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.15805 |
| Heavy Atoms | 36 |
| Complexity | 1332.6244 |
Chemical Identifiers
| CAS Number | 693239-57-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide (CAS 693239-57-5), with molecular formula C26H25FN4O4S and molecular weight 508.16 g/mol. IUPAC: 2-[[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Property Insights of 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
The XLogP value of 5.13842 indicates that 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide?
The CAS number of 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide is 693239-57-5.
What is the molecular formula of 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide?
The molecular formula of 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide is C26H25FN4O4S.
What is the molecular weight of 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide?
The molecular weight of 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide is 508.16 g/mol.
Where can I buy 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide?
You can request a quote for 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide 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-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.