![2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] structure](/static/products/2447/244766-47-0.webp)
2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone]
TL;DR: 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] (CAS 244766-47-0) is a chemical compound with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
Also Known As: 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone], 2,2a(2)-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone], 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(sulfanediyl)]bis[1-(4-methylphenyl)ethan-1-one], 2-[[4-methyl-5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
| Molecular Formula | C21H21N3O2S2 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 4.38194 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.1075 |
| Heavy Atoms | 28 |
| Complexity | 900.8902 |
Chemical Identifiers
| CAS Number | 244766-47-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)C |
Product Overview
2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] (CAS 244766-47-0), with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol. IUPAC: 2-[[4-methyl-5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone]
Property Insights of 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone]
The XLogP value of 4.38194 indicates that 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone]. Following Lipinski's Rule of Five, 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] has 0 hydrogen bond donor(s) and 6 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 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone]?
The CAS number of 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] is 244766-47-0.
What is the molecular formula of 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone]?
The molecular formula of 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] is C21H21N3O2S2.
What is the molecular weight of 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone]?
The molecular weight of 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] is 411.11 g/mol.
Where can I buy 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone]?
You can request a quote for 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone]?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-[(4-Methyl-4H-1,2,4-triazole-3,5-diyl)bis(thio)]bis[1-(4-methylphenyl)ethanone] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.