3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
TL;DR: 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine (CAS 678541-90-7) is a chemical compound with molecular formula C20H13BrClFN4S and molecular weight 473.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-bromophenyl)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-(4-(4-Bromophenyl)-5-((2-chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 3-(4-(4-BR-PH)-5-((2-CHLORO-6-FLUOROBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE, 3-[4-(4-bromophenyl)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 3-{4-(4-bromophenyl)-5-[(2-chloro-6-fluorobenzyl)thio]-4H-1,2,4-triazol-3-yl}pyridine, 4-(4-bromophenyl)-3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-pyridyl)-1,2,4- triazole
| Molecular Formula | C20H13BrClFN4S |
|---|---|
| Molecular Weight | 473.97 g/mol |
| LogP | 6.1766 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.97168 |
| Heavy Atoms | 28 |
| Complexity | 1082.9061 |
Chemical Identifiers
| CAS Number | 678541-90-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4)F |
Product Overview
3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine (CAS 678541-90-7), with molecular formula C20H13BrClFN4S and molecular weight 473.97 g/mol. IUPAC: 3-[4-(4-bromophenyl)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
Property Insights of 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
The XLogP value of 6.1766 indicates that 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The CAS number of 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is 678541-90-7.
What is the molecular formula of 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular formula of 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is C20H13BrClFN4S.
What is the molecular weight of 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular weight of 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine is 473.97 g/mol.
Where can I buy 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
You can request a quote for 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(4-BR-PH)-5-((2-Chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.