3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
TL;DR: 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole (CAS 679799-66-7) is a chemical compound with molecular formula C27H29N3O2S and molecular weight 459.20 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-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-[(4-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazole
| Molecular Formula | C27H29N3O2S |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 6.5413 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.19806 |
| Heavy Atoms | 33 |
| Complexity | 1192.3527 |
Chemical Identifiers
| CAS Number | 679799-66-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)OC |
Product Overview
3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole (CAS 679799-66-7), with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Property Insights of 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
The XLogP value of 6.5413 indicates that 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-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 49.17 Ų, 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-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)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 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)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
The CAS number of 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole is 679799-66-7.
What is the molecular formula of 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
The molecular formula of 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole is C27H29N3O2S.
What is the molecular weight of 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
The molecular weight of 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole is 459.20 g/mol.
Where can I buy 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
You can request a quote for 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-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)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(tert-butyl)phenyl)-5-((4-methoxybenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.