3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole
TL;DR: 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole (CAS 499103-19-4) is a chemical compound with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole, 1-{5-[4-(tert-butyl)phenyl]-3-[(4-nitrophenyl)methylthio](1,2,4-triazol-4-yl)} -4-methoxybenzene, 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole, 3-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-5-{[(4-NITROPHENYL)METHYL]SULFANYL}-1,2,4-TRIAZOLE
| Molecular Formula | C26H26N4O3S |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 6.4409 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.17258 |
| Heavy Atoms | 34 |
| Complexity | 1275.8778 |
Chemical Identifiers
| CAS Number | 499103-19-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole (CAS 499103-19-4), with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole
Property Insights of 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole
The XLogP value of 6.4409 indicates that 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 6 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)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
The CAS number of 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole is 499103-19-4.
What is the molecular formula of 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
The molecular formula of 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole is C26H26N4O3S.
What is the molecular weight of 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
The molecular weight of 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole is 474.17 g/mol.
Where can I buy 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
You can request a quote for 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-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)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.