![2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide structure](/static/products/7492/749214-72-0.webp)
2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
TL;DR: 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide (CAS 749214-72-0) is a chemical compound with molecular formula C24H21ClN4OS and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide, 2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide, 2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, 2-{[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
| Molecular Formula | C24H21ClN4OS |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 5.93534 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.11246 |
| Heavy Atoms | 31 |
| Complexity | 1223.4938 |
Chemical Identifiers
| CAS Number | 749214-72-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4Cl |
Product Overview
2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide (CAS 749214-72-0), with molecular formula C24H21ClN4OS and molecular weight 448.11 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
Property Insights of 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
The XLogP value of 5.93534 indicates that 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-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-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide 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-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide?
The CAS number of 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide is 749214-72-0.
What is the molecular formula of 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide?
The molecular formula of 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide is C24H21ClN4OS.
What is the molecular weight of 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide?
The molecular weight of 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide is 448.11 g/mol.
Where can I buy 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide?
You can request a quote for 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-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-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(2-Chlorophenyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.