![2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide structure](/static/products/5398/539809-49-9.webp)
2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
TL;DR: 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (CAS 539809-49-9) is a chemical compound with molecular formula C25H24ClN5OS and molecular weight 477.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
Also Known As: 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide, 2-((5-(((3-Chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,5-dimethylphenyl)acetamide, 2-({5-[(3-CHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-(2,5-DIMETHYLPHENYL)ACETAMIDE, 2-((5-((3-CHLOROANILINO)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2,5-DIMETHYLPHENYL)ACETAMIDE, 2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
| Molecular Formula | C25H24ClN5OS |
|---|---|
| Molecular Weight | 477.14 g/mol |
| LogP | 5.88044 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.139 |
| Heavy Atoms | 33 |
| Complexity | 1258.9043 |
Chemical Identifiers
| CAS Number | 539809-49-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC(=CC=C4)Cl |
Product Overview
2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (CAS 539809-49-9), with molecular formula C25H24ClN5OS and molecular weight 477.14 g/mol. IUPAC: 2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide.
Chemical Property Profile of 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
Property Insights of 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
The XLogP value of 5.88044 indicates that 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide has 2 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 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The CAS number of 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is 539809-49-9.
What is the molecular formula of 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The molecular formula of 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is C25H24ClN5OS.
What is the molecular weight of 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The molecular weight of 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is 477.14 g/mol.
Where can I buy 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
You can request a quote for 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)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-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.