![3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine structure](/static/products/5794/579440-53-2.webp)
3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine
TL;DR: 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine (CAS 579440-53-2) is a chemical compound with molecular formula C16H15ClN4OS and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(2-chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine, 3-((2-chlorobenzyl)thio)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(2-chlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine
| Molecular Formula | C16H15ClN4OS |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 3.6132 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.06552 |
| Heavy Atoms | 23 |
| Complexity | 804.09485 |
Chemical Identifiers
| CAS Number | 579440-53-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3Cl |
Product Overview
3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine (CAS 579440-53-2), with molecular formula C16H15ClN4OS and molecular weight 346.07 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine
Property Insights of 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine
The XLogP value of 3.6132 indicates that 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-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-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine. Following Lipinski's Rule of Five, 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-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-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine?
The CAS number of 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine is 579440-53-2.
What is the molecular formula of 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine?
The molecular formula of 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine is C16H15ClN4OS.
What is the molecular weight of 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine?
The molecular weight of 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine is 346.07 g/mol.
Where can I buy 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine?
You can request a quote for 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-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-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Chlorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.