2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide
TL;DR: 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide (CAS 540498-59-7) is a chemical compound with molecular formula C26H26ClN5OS and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chloroanilino)methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide, 2-{[5-[(3-CHLOROANILINO)METHYL]-4-(2,5-DIMETHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(4-METHYLPHENYL)ACETAMIDE, 2-((5-((3-CHLOROANILINO)METHYL)-4-(2,5-DIMETHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE, 2-[(5-{[(3-CHLOROPHENYL)AMINO]METHYL}-4-(2,5-DIMETHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE, 2-[[5-[(3-chloroanilino)methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
| Molecular Formula | C26H26ClN5OS |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 6.18886 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.15466 |
| Heavy Atoms | 34 |
| Complexity | 1303.0513 |
Chemical Identifiers
| CAS Number | 540498-59-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)C)C)CNC4=CC(=CC=C4)Cl |
Product Overview
2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide (CAS 540498-59-7), with molecular formula C26H26ClN5OS and molecular weight 491.15 g/mol. IUPAC: 2-[[5-[(3-chloroanilino)methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide
Property Insights of 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide
The XLogP value of 6.18886 indicates that 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)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-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)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-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
The CAS number of 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide is 540498-59-7.
What is the molecular formula of 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
The molecular formula of 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide is C26H26ClN5OS.
What is the molecular weight of 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
The molecular weight of 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide is 491.15 g/mol.
Where can I buy 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
You can request a quote for 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)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-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(((3-Chlorophenyl)amino)methyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.