![3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole structure](/static/products/849/849012-06-2.png)
3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
TL;DR: 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole (CAS 849012-06-2) is a chemical compound with molecular formula C21H25N3OS and molecular weight 367.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
Also Known As: 3-((4-(tert-butyl)benzyl)thio)-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole, 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole, 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
| Molecular Formula | C21H25N3OS |
|---|---|
| Molecular Weight | 367.17 g/mol |
| LogP | 5.0805 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.17184 |
| Heavy Atoms | 26 |
| Complexity | 861.767 |
Chemical Identifiers
| CAS Number | 849012-06-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC |
Product Overview
3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole (CAS 849012-06-2), with molecular formula C21H25N3OS and molecular weight 367.17 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole.
Chemical Property Profile of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
Property Insights of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
The XLogP value of 5.0805 indicates that 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-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-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-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-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
The CAS number of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole is 849012-06-2.
What is the molecular formula of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
The molecular formula of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole is C21H25N3OS.
What is the molecular weight of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
The molecular weight of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole is 367.17 g/mol.
Where can I buy 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
You can request a quote for 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-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-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.