![3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine structure](/static/products/6764/676458-72-3.webp)
3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine
TL;DR: 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine (CAS 676458-72-3) is a chemical compound with molecular formula C17H16Cl2N4O2S and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine, 3-((2,4-dichlorobenzyl)thio)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(2,4-dichlorobenzyl)sulfanyl]-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine
| Molecular Formula | C17H16Cl2N4O2S |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 4.2752 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.0371 |
| Heavy Atoms | 26 |
| Complexity | 933.1215 |
Chemical Identifiers
| CAS Number | 676458-72-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=C(C=C(C=C3)Cl)Cl)OC |
Product Overview
3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine (CAS 676458-72-3), with molecular formula C17H16Cl2N4O2S and molecular weight 410.04 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine
Property Insights of 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine
The XLogP value of 4.2752 indicates that 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine. Following Lipinski's Rule of Five, 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine has 1 hydrogen bond donor(s) and 6 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-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine?
The CAS number of 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine is 676458-72-3.
What is the molecular formula of 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine?
The molecular formula of 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine is C17H16Cl2N4O2S.
What is the molecular weight of 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine?
The molecular weight of 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine is 410.04 g/mol.
Where can I buy 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine?
You can request a quote for 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,4-dichlorophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-4-yl amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.