![3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole structure](/static/products/4991/499103-50-3.webp)
3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
TL;DR: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole (CAS 499103-50-3) is a chemical compound with molecular formula C26H25Cl2N3OS and molecular weight 497.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
Also Known As: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 3-(4-(tert-butyl)phenyl)-5-((2,4-dichlorobenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 1-{3-[(2,4-dichlorophenyl)methylthio]-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4 -yl)}-4-methoxybenzene, 3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole
| Molecular Formula | C26H25Cl2N3OS |
|---|---|
| Molecular Weight | 497.11 g/mol |
| LogP | 7.8395 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.10953 |
| Heavy Atoms | 33 |
| Complexity | 1246.2698 |
Chemical Identifiers
| CAS Number | 499103-50-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=C(C=C(C=C4)Cl)Cl |
Product Overview
3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole (CAS 499103-50-3), with molecular formula C26H25Cl2N3OS and molecular weight 497.11 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Property Insights of 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
The XLogP value of 7.8395 indicates that 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-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 39.94 Ų, 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-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-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole 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 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
The CAS number of 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole is 499103-50-3.
What is the molecular formula of 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
The molecular formula of 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole is C26H25Cl2N3OS.
What is the molecular weight of 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
The molecular weight of 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole is 497.11 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
You can request a quote for 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-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-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.