![1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone structure](/static/products/861/861629-23-4.png)
1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 861629-23-4) is a chemical compound with molecular formula C28H29N3OS and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(biphenyl-4-yl)-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 2-[[4-ethyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone, 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone, 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylphenyl)ethan-1-one
| Molecular Formula | C28H29N3OS |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 6.9045 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.20312 |
| Heavy Atoms | 33 |
| Complexity | 1221.1351 |
Chemical Identifiers
| CAS Number | 861629-23-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 861629-23-4), with molecular formula C28H29N3OS and molecular weight 455.20 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-ethyl-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-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 6.9045 indicates that 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone is 861629-23-4.
What is the molecular formula of 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone is C28H29N3OS.
What is the molecular weight of 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone is 455.20 g/mol.
Where can I buy 1-([1,1'-biphenyl]-4-yl)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-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-ethyl-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-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.