![3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine structure](/static/products/5855/585563-87-7.webp)
3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine
TL;DR: 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine (CAS 585563-87-7) is a chemical compound with molecular formula C17H16Cl2N4OS and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(2,6-dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine, 3-((2,6-dichlorobenzyl)thio)-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine
| Molecular Formula | C17H16Cl2N4OS |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 4.6567 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.04218 |
| Heavy Atoms | 25 |
| Complexity | 864.5845 |
Chemical Identifiers
| CAS Number | 585563-87-7 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine (CAS 585563-87-7), with molecular formula C17H16Cl2N4OS and molecular weight 394.04 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine
Property Insights of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine
The XLogP value of 4.6567 indicates that 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine. Following Lipinski's Rule of Five, 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine has 1 hydrogen bond donor(s) and 5 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 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine?
The CAS number of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine is 585563-87-7.
What is the molecular formula of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine?
The molecular formula of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine is C17H16Cl2N4OS.
What is the molecular weight of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine?
The molecular weight of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine is 394.04 g/mol.
Where can I buy 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine?
You can request a quote for 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine 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-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.