3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine (CAS 879455-79-5) is a chemical compound with molecular formula C18H13Cl2FN6S and molecular weight 434.03 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-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-amine
Also Known As: 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine, 3-[(2,6-dichlorobenzyl)sulfanyl]-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-4-amine, 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-amine, 5-[(2,6-dichlorophenyl)methylthio]-3-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-tr iazole-4-ylamine
| Molecular Formula | C18H13Cl2FN6S |
|---|---|
| Molecular Weight | 434.03 g/mol |
| LogP | 4.7872 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.02835 |
| Heavy Atoms | 28 |
| Complexity | 1105.3187 |
Chemical Identifiers
| CAS Number | 879455-79-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F)Cl |
Product Overview
3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine (CAS 879455-79-5), with molecular formula C18H13Cl2FN6S and molecular weight 434.03 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine
The XLogP value of 4.7872 indicates that 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine has 2 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-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is 879455-79-5.
What is the molecular formula of 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is C18H13Cl2FN6S.
What is the molecular weight of 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine is 434.03 g/mol.
Where can I buy 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,6-dichlorobenzyl)thio)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.