![3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole structure](/static/products/896/896825-06-2.png)
3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole (CAS 896825-06-2) is a chemical compound with molecular formula C24H23N3OS and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole
Also Known As: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole, 1-{5-[(2,5-dimethylphenyl)methylthio]-4-phenyl(1,2,4-triazol-3-yl)}-2-methoxyb enzene, 3-((2,5-dimethylbenzyl)thio)-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole, 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole, 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C24H23N3OS |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 5.85204 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1562 |
| Heavy Atoms | 29 |
| Complexity | 1122.1913 |
Chemical Identifiers
| CAS Number | 896825-06-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4OC |
Product Overview
3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole (CAS 896825-06-2), with molecular formula C24H23N3OS and molecular weight 401.16 g/mol. IUPAC: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 5.85204 indicates that 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-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 39.94 Ų, 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-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-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole is 896825-06-2.
What is the molecular formula of 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole is C24H23N3OS.
What is the molecular weight of 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole is 401.16 g/mol.
Where can I buy 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-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 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.