2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide
TL;DR: 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide (CAS 538336-45-7) is a chemical compound with molecular formula C27H28N4OS and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: A3081/0130343, 2-((4-(2,5-Dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide, 2-((4-(2,5-DIMETHYLPHENYL)-5-PH-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE, 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide, 2-{[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-MESITYLACETAMIDE
| Molecular Formula | C27H28N4OS |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 6.2072 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.1984 |
| Heavy Atoms | 33 |
| Complexity | 1288.2035 |
Chemical Identifiers
| CAS Number | 538336-45-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3C)C)C)C4=CC=CC=C4 |
Product Overview
2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide (CAS 538336-45-7), with molecular formula C27H28N4OS and molecular weight 456.20 g/mol. IUPAC: 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide
Property Insights of 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide
The XLogP value of 6.2072 indicates that 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide 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-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide 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-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide?
The CAS number of 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide is 538336-45-7.
What is the molecular formula of 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide?
The molecular formula of 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide is C27H28N4OS.
What is the molecular weight of 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide?
The molecular weight of 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide is 456.20 g/mol.
Where can I buy 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide?
You can request a quote for 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(2,5-Dimethylphenyl)-5-PH-4H-1,2,4-triazol-3-YL)thio)-N-mesitylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.