![1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone structure](/static/products/790/790243-30-0.png)
1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 790243-30-0) is a chemical compound with molecular formula C33H31N3OS and molecular weight 517.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone
Also Known As: 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(biphenyl-4-yl)-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone, 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylphenyl)ethan-1-one, 2-{5-[4-(tert-butyl)phenyl]-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)}-1-(4-p henylphenyl)ethan-1-one
| Molecular Formula | C33H31N3OS |
|---|---|
| Molecular Weight | 517.22 g/mol |
| LogP | 8.18222 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.2188 |
| Heavy Atoms | 38 |
| Complexity | 1529.9349 |
Chemical Identifiers
| CAS Number | 790243-30-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C |
Product Overview
1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 790243-30-0), with molecular formula C33H31N3OS and molecular weight 517.22 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone.
Chemical Property Profile of 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 8.18222 indicates that 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-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-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-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-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-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-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 790243-30-0.
What is the molecular formula of 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is C33H31N3OS.
What is the molecular weight of 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 517.22 g/mol.
Where can I buy 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-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-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-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.