Cas no 42405-40-3 (Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4)-)

Zinc, bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4)-, is a coordination complex in which zinc is chelated by two sterically hindered phenolic ligands. The tert-butyl groups provide enhanced thermal and oxidative stability, making this compound suitable for applications requiring resistance to degradation under harsh conditions. The tetrahedral (T-4) geometry around the zinc center ensures structural integrity, while the phenolic hydroxyl groups contribute to its reactivity as a catalyst or stabilizer in polymer systems. This compound is particularly valued for its role in antioxidant and UV-stabilizing formulations, where its molecular structure effectively scavenges free radicals and inhibits oxidative chain reactions. Its low volatility and compatibility with organic matrices further enhance its utility in high-performance materials.
Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4)- structure
42405-40-3 structure
Product Name:Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4)-
CAS No:42405-40-3
MF:C30H44O6Zn
MW:566.075766563416
CID:329124
PubChem ID:4255607
Update Time:2025-05-19

Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4)- Chemical and Physical Properties

Names and Identifiers

    • Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4)-
    • ]-, (T-4)-Zinc
    • zinc 3,5-di-tert-butylsalicylate
    • 42405-40-3
    • 3,5-ditert-butyl-2-hydroxybenzoic acid;zinc
    • Zinc 3,5-di-tert-butylsalicylate, 97%
    • ZINC 3 5-DI-TERT-BUTYLSALICYLATE 97
    • Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-ko)benzoato-ko]-,(t-4)-
    • 3,5-Di-tert-butylsalicylic acid zinc salt
    • ZINC 3 5-DI-TERT-BUTYLSALICYLATE 97
    • Inchi: 1S/2C15H22O3.Zn/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);
    • InChI Key: UZMHWULPQWNCOB-UHFFFAOYSA-N
    • SMILES: [Zn].OC1=C(C(=O)O)C=C(C=C1C(C)(C)C)C(C)(C)C.OC1=C(C(=O)O)C=C(C=C1C(C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 652.320725
  • Monoisotopic Mass: 652.320725
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 31
  • Complexity: 926
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 182

Experimental Properties

  • Melting Point: 256℃

Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4)- Security Information

  • Hazardous Material transportation number:UN 1325 4.1/PG 3
  • WGK Germany:3
  • Hazard Category Code: 11-22-50/53
  • Safety Instruction: 7-22-60-61
  • Hazardous Material Identification: F Xn N
  • Risk Phrases:11-22-50/53

Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4)- Pricemore >>

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Additional information on Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4)-

Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4) and Its Significance in Modern Chemical Biology

The compound CAS no. 42405-40-3, identified as Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4), represents a fascinating molecule with profound implications in the field of chemical biology. This organometallic complex has garnered significant attention due to its unique structural properties and its potential applications in various biochemical processes. The intricate coordination of zinc with the benzoate ligands not only imparts stability but also opens up avenues for exploring its role in enzyme inhibition, metalloprotein interactions, and as a therapeutic agent.

In recent years, the study of metalloenzymes and their mimics has seen remarkable advancements. The use of transition metals, particularly zinc, has been extensively explored due to their ability to interact with biological systems in a highly specific manner. The compound Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4) is a prime example of how metal coordination can be leveraged to modulate biological pathways. The presence of bulky tert-butyl groups in the ligand design enhances the compound's solubility and bioavailability, making it an attractive candidate for further investigation.

One of the most intriguing aspects of this compound is its potential role as an enzyme inhibitor. Enzymes are biological catalysts that facilitate a wide range of biochemical reactions essential for life. By understanding the mechanism of action of these enzymes, scientists can develop inhibitors that target specific pathways involved in diseases such as cancer, inflammation, and neurodegenerative disorders. The CAS no. 42405-40-3 complex has shown promise in inhibiting certain hydrolases by competing with natural substrates or by stabilizing the enzyme-substrate complex. This has led to its exploration as a lead compound in drug discovery initiatives.

The structural features of Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4) also make it an excellent candidate for studying metalloprotein interactions. Metalloproteins are proteins that contain metal ions as part of their structure and function. These proteins play crucial roles in various biological processes, including oxygen transport, DNA replication, and signal transduction. The ability of this compound to bind to metalloproteins without causing toxicity makes it a valuable tool for understanding the role of metals in biological systems.

Recent studies have highlighted the importance of zinc in cellular signaling and homeostasis. Zinc ions are essential cofactors for numerous enzymes and play a critical role in gene expression and immune function. The CAS no. 42405-40-3 complex has been found to influence zinc homeostasis by interacting with zinc transporters and channels. This interaction can lead to changes in intracellular zinc levels, which can have far-reaching effects on cellular processes such as proliferation, differentiation, and apoptosis.

The therapeutic potential of Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4) is another area of active research. Preclinical studies have demonstrated its efficacy in reducing inflammation and oxidative stress in various disease models. The ability of this compound to scavenge reactive oxygen species (ROS) makes it a promising candidate for treating conditions associated with oxidative damage, such as aging-related diseases and neurodegenerative disorders.

The synthesis and characterization of this complex have also provided insights into the development of new coordination polymers with tailored properties. Coordination polymers are materials composed of metal ions connected by organic ligands to form one-dimensional or three-dimensional networks. These materials have applications in catalysis, gas storage, and molecular recognition. The unique structure of Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4) offers a platform for designing novel coordination polymers with enhanced stability and functionality.

In conclusion, the compound CAS no. 42405-40-3, specifically Zinc,bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-kO)benzoato-kO]-, (T-4), represents a significant advancement in chemical biology research. Its unique structural properties and potential applications in enzyme inhibition, metalloprotein interactions, and therapeutic interventions make it a valuable asset in both academic research and drug development pipelines.

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