N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide
TL;DR: N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 538336-55-9) is a chemical compound with molecular formula C24H22N4OS and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-Benzyl-2-((5-phenyl-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-BENZYL-2-((4-(3-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE, N-benzyl-2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 646-384-9, RefChem:829098
| Molecular Formula | C24H22N4OS |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 4.65122 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.15143 |
| Heavy Atoms | 30 |
| Complexity | 1126.4282 |
Chemical Identifiers
| CAS Number | 538336-55-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 538336-55-9), with molecular formula C24H22N4OS and molecular weight 414.15 g/mol. IUPAC: N-benzyl-2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide
Property Insights of N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide
The XLogP value of 4.65122 indicates that N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide 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 N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
The CAS number of N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide is 538336-55-9.
What is the molecular formula of N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular formula of N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide is C24H22N4OS.
What is the molecular weight of N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular weight of N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide is 414.15 g/mol.
Where can I buy N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
You can request a quote for N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-2-((4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.