![4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole structure](/static/products/482/482653-82-7.png)
4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
TL;DR: 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole (CAS 482653-82-7) is a chemical compound with molecular formula C17H17N3S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole
Also Known As: BAS 02170815, 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole, 4-methyl-3-((4-methylbenzyl)thio)-5-phenyl-4H-1,2,4-triazole, 4-Methyl-3-(4-methyl-benzylsulfanyl)-5-phenyl-4H-[1,2,4]triazole, 4-methyl-3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole
| Molecular Formula | C17H17N3S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 4.08282 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.11432 |
| Heavy Atoms | 21 |
| Complexity | 717.55096 |
Chemical Identifiers
| CAS Number | 482653-82-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=CC=C3 |
Product Overview
4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole (CAS 482653-82-7), with molecular formula C17H17N3S and molecular weight 295.11 g/mol. IUPAC: 4-methyl-3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole.
Chemical Property Profile of 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
Property Insights of 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
The XLogP value of 4.08282 indicates that 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-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, 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole?
The CAS number of 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole is 482653-82-7.
What is the molecular formula of 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole?
The molecular formula of 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole is C17H17N3S.
What is the molecular weight of 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole?
The molecular weight of 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole is 295.11 g/mol.
Where can I buy 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole?
You can request a quote for 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-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 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.