![3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole structure](/static/products/778/778577-98-3.png)
3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole
TL;DR: 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole (CAS 778577-98-3) is a chemical compound with molecular formula C18H17Cl2N3OS and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole
Also Known As: 1-{5-[(2,6-dichlorophenyl)methylthio]-4-ethyl(1,2,4-triazol-3-yl)}-2-methoxybe nzene, 3-((2,6-dichlorobenzyl)thio)-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole, 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole, 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole, 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole
| Molecular Formula | C18H17Cl2N3OS |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 5.5727 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.04694 |
| Heavy Atoms | 25 |
| Complexity | 862.25775 |
Chemical Identifiers
| CAS Number | 778577-98-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3OC |
Product Overview
3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole (CAS 778577-98-3), with molecular formula C18H17Cl2N3OS and molecular weight 393.05 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole
Property Insights of 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole
The XLogP value of 5.5727 indicates that 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-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-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-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-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
The CAS number of 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole is 778577-98-3.
What is the molecular formula of 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
The molecular formula of 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole is C18H17Cl2N3OS.
What is the molecular weight of 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
The molecular weight of 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole is 393.05 g/mol.
Where can I buy 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
You can request a quote for 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-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-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.