3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole (CAS 796998-35-1) is a chemical compound with molecular formula C29H33N3S and molecular weight 455.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole, 4-phenyl-3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazole, 5-[4-(tert-butyl)phenyl]-3-{[4-(tert-butyl)phenyl]methylthio}-4-phenyl-1,2,4-t riazole
| Molecular Formula | C29H33N3S |
|---|---|
| Molecular Weight | 455.24 g/mol |
| LogP | 7.8216 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.23953 |
| Heavy Atoms | 33 |
| Complexity | 1193.2094 |
Chemical Identifiers
| CAS Number | 796998-35-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole (CAS 796998-35-1), with molecular formula C29H33N3S and molecular weight 455.24 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 7.8216 indicates that 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole is 796998-35-1.
What is the molecular formula of 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole is C29H33N3S.
What is the molecular weight of 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole is 455.24 g/mol.
Where can I buy 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.