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4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine structure
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4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine

TL;DR: 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine (CAS 499124-51-5) is a chemical compound with molecular formula C22H20N4OS and molecular weight 388.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine

Also Known As: 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine, 3-methoxy-1-{[4-(4-methylphenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]methyl} benzene, 4-(5-((3-methoxybenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyridine, 4-{5-[(3-methoxybenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyridine, 4-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine

CAS Number
499124-51-5
Molecular Formula
C22H20N4OS
Molecular Weight
388.13577 g/mol
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Technical Specifications

Molecular FormulaC22H20N4OS
Molecular Weight388.13577 g/mol
XLogP4.4
Topological Polar Surface Area (TPSA)78.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds6
Exact Mass388.13577 Da
Heavy Atoms28
Complexity467.0
SMILESCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)OC)C4=CC=NC=C4
InChIKeyNSSDIBBQBBMILA-UHFFFAOYSA-N

Chemical Property Profile of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine

XLogP
4.4
TPSA (Topological Polar Surface Area)
78.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
6
Heavy Atoms
28
Complexity
467.0
Exact Mass
388.13577
Monoisotopic Mass
388.13577
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine

The XLogP value of 4.4 indicates that 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine. Following Lipinski's Rule of Five, 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine?

The CAS number of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is 499124-51-5.

What is the molecular formula of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine?

The molecular formula of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is C22H20N4OS.

What is the molecular weight of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine?

The molecular weight of 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine is 388.13577 g/mol.

Where can I buy 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine?

You can request a quote for 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine?

Yes, CoreyChem provides custom synthesis services for 4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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