2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone
TL;DR: 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 848930-85-8) is a chemical compound with molecular formula C27H26ClN3OS and molecular weight 475.15 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-chlorophenyl)ethanone
Also Known As: 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone, 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone, 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
| Molecular Formula | C27H26ClN3OS |
|---|---|
| Molecular Weight | 475.15 g/mol |
| LogP | 7.16862 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.1485 |
| Heavy Atoms | 33 |
| Complexity | 1254.9719 |
Chemical Identifiers
| CAS Number | 848930-85-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 848930-85-8), with molecular formula C27H26ClN3OS and molecular weight 475.15 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone
Property Insights of 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone
The XLogP value of 7.16862 indicates that 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)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, 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)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 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
The CAS number of 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone is 848930-85-8.
What is the molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone is C27H26ClN3OS.
What is the molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone is 475.15 g/mol.
Where can I buy 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
You can request a quote for 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.