1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 443743-69-9) is a chemical compound with molecular formula C24H21N3OS and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone, 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-[4-(4-methylphenyl)-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-1-phenyletha n-1-one, 2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
| Molecular Formula | C24H21N3OS |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 5.52614 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.14053 |
| Heavy Atoms | 29 |
| Complexity | 1134.5217 |
Chemical Identifiers
| CAS Number | 443743-69-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C |
Product Overview
1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 443743-69-9), with molecular formula C24H21N3OS and molecular weight 399.14 g/mol. IUPAC: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 5.52614 indicates that 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone has 0 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 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 443743-69-9.
What is the molecular formula of 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is C24H21N3OS.
What is the molecular weight of 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 399.14 g/mol.
Where can I buy 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.