![3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine structure](/static/products/6951/695198-41-5.webp)
3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
TL;DR: 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine (CAS 695198-41-5) is a chemical compound with molecular formula C20H14F2N4S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Also Known As: AO-080/43342596, 3-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine, A3314/0140872, 2,6-difluorobenzyl 4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide, 3-{5-[(2,6-difluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
| Molecular Formula | C20H14F2N4S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 4.8998 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.09073 |
| Heavy Atoms | 27 |
| Complexity | 1032.037 |
Chemical Identifiers
| CAS Number | 695198-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3F)F)C4=CN=CC=C4 |
Product Overview
3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine (CAS 695198-41-5), with molecular formula C20H14F2N4S and molecular weight 380.09 g/mol. IUPAC: 3-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Property Insights of 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
The XLogP value of 4.8998 indicates that 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-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-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine has 0 hydrogen bond donor(s) and 4 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-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The CAS number of 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine is 695198-41-5.
What is the molecular formula of 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine is C20H14F2N4S.
What is the molecular weight of 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine is 380.09 g/mol.
Where can I buy 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-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-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[(2,6-Difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.