3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine
TL;DR: 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine (CAS 675120-86-2) is a chemical compound with molecular formula C18H18F2N4O3S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-difluorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-((2,6-Difluorobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-((2,6-DI-F-BENZYL)THIO)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE, 3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine, 3-[(2,6-difluorophenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-4 -ylamine
| Molecular Formula | C18H18F2N4O3S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 3.2552 |
| Topological Polar Surface Area | 84.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.10678 |
| Heavy Atoms | 28 |
| Complexity | 951.70233 |
Chemical Identifiers
| CAS Number | 675120-86-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=C(C=CC=C3F)F |
Product Overview
3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine (CAS 675120-86-2), with molecular formula C18H18F2N4O3S and molecular weight 408.11 g/mol. IUPAC: 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine
Property Insights of 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine
The XLogP value of 3.2552 indicates that 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine. Following Lipinski's Rule of Five, 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine has 1 hydrogen bond donor(s) and 7 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-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
The CAS number of 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine is 675120-86-2.
What is the molecular formula of 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
The molecular formula of 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine is C18H18F2N4O3S.
What is the molecular weight of 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
The molecular weight of 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine is 408.11 g/mol.
Where can I buy 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
You can request a quote for 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-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-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,6-DI-F-Benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.