2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide
TL;DR: 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide (CAS 618441-08-0) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide, 2-[[5-(2,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide, 2-[[5-(2,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, 2-{[4-allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide, 644-856-9
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 4.47874 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 950.0704 |
Chemical Identifiers
| CAS Number | 618441-08-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3)C |
Product Overview
2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide (CAS 618441-08-0), with molecular formula C21H22N4OS and molecular weight 378.15 g/mol. IUPAC: 2-[[5-(2,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide
Property Insights of 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide
The XLogP value of 4.47874 indicates that 2-((4-Allyl-5-(2,4-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-((4-Allyl-5-(2,4-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-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide?
The CAS number of 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide is 618441-08-0.
What is the molecular formula of 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide?
The molecular formula of 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide is C21H22N4OS.
What is the molecular weight of 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide?
The molecular weight of 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide is 378.15 g/mol.
Where can I buy 2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide?
You can request a quote for 2-((4-Allyl-5-(2,4-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-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-(2,4-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.