Cas no 865-14-5 (1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone)

1,8,15,22,29,36-Hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone is a macrocyclic compound featuring six aza groups and six ketone functionalities symmetrically arranged within a 40-membered ring structure. This configuration imparts strong chelating properties, making it suitable for complexation with transition metals and lanthanides. Its rigid, preorganized framework enhances selectivity in binding applications, while the multiple carbonyl and nitrogen donor sites facilitate versatile coordination chemistry. The compound's stability and predictable reactivity render it valuable in catalysis, molecular recognition, and supramolecular chemistry. Its synthetic accessibility and modular design further support tailored modifications for specialized research or industrial applications.
1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone structure
865-14-5 structure
Product Name:1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone
CAS No:865-14-5
MF:C36H66N6O6
MW:678.945849895477
CID:2701245
PubChem ID:86071640
Update Time:2025-05-20

1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone Chemical and Physical Properties

Names and Identifiers

    • 1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone
    • 865-14-5
    • PA 6 HEXAMER
    • 1,8,15,22,29,36-Hexaazacyclodotetracontane-2,9,16,23,30,37-hexone
    • DTXSID401016684
    • Cyclic Hexamer of Caprolactam
    • Inchi: 1S/C36H66N6O6/c43-31-19-7-1-13-25-37-32(44)20-8-2-15-27-39-34(46)22-10-4-17-29-41-36(48)24-12-6-18-30-42-35(47)23-11-5-16-28-40-33(45)21-9-3-14-26-38-31/h1-30H2,(H,37,44)(H,38,43)(H,39,46)(H,40,45)(H,41,48)(H,42,47)
    • InChI Key: VIBRWXMFTOKNOM-UHFFFAOYSA-N
    • SMILES: O=C1CCCCCNC(CCCCCNC(CCCCCNC(CCCCCNC(CCCCCNC(CCCCCN1)=O)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 678.50438385Da
  • Monoisotopic Mass: 678.50438385Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 0
  • Complexity: 729
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 175?2

1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
H825990-100mg
1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone
865-14-5
100mg
$ 15000.00 2023-09-07

1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone Related Literature

Additional information on 1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone

Introduction to 1,8,15,22,29,36-Hexaazacyclodotetracontane-2,9,16,23,30,37-Hexaone (CAS No. 865-14-5)

1,8,15,22,29,36-Hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone (CAS No. 865-14-5) is a complex macrocyclic compound that has garnered significant attention in the fields of chemistry and medicinal research due to its unique structural properties and potential applications. This compound belongs to the class of macrocyclic polyamines and is characterized by its six nitrogen atoms and six ketone groups arranged in a cyclic structure. The intricate arrangement of these functional groups endows the molecule with remarkable stability and reactivity, making it a valuable candidate for various scientific investigations.

The synthesis of 1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone is a challenging task that requires precise control over the formation of the macrocyclic ring. Recent advancements in synthetic chemistry have led to the development of efficient methodologies for its preparation. One notable approach involves the use of multicomponent reactions (MCRs), which allow for the simultaneous formation of multiple bonds and functional groups in a single step. This method not only simplifies the synthetic process but also enhances the yield and purity of the final product.

In terms of its physical and chemical properties, 1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone exhibits high thermal stability and solubility in polar solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF). These properties make it suitable for use in various analytical techniques and biological assays. Additionally, the compound's ability to form stable complexes with metal ions has been extensively studied. Research has shown that it can selectively bind to certain metal ions such as copper(II), zinc(II), and iron(III), which has implications for its use in metal ion sensing and catalysis.

The biological activity of 1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone has also been a focus of recent studies. Preliminary investigations have indicated that this compound possesses antimicrobial properties against a range of bacterial strains. The mechanism by which it exerts these effects is thought to involve disruption of bacterial cell membranes or interference with essential metabolic pathways. Furthermore, studies have explored its potential as an antiviral agent against various viral infections. The compound's ability to inhibit viral replication has been attributed to its interaction with viral enzymes or host cell receptors.

In the realm of medicinal chemistry, 1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone has shown promise as a lead compound for drug development. Its unique structure allows for the introduction of various functional groups through chemical modification techniques such as alkylation and acylation. These modifications can enhance the compound's pharmacological properties and improve its bioavailability and therapeutic efficacy. Current research efforts are focused on optimizing these derivatives for specific therapeutic applications.

Clinical trials involving derivatives of 1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone are underway to evaluate their safety and efficacy in treating various diseases. Early results have been encouraging, with some derivatives demonstrating significant therapeutic potential in preclinical models of cancer and neurodegenerative disorders. These findings highlight the versatility and potential impact of this compound in advancing medical treatments.

In conclusion, 1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone (CAS No. 865-14-5) is a multifaceted compound with a wide range of applications in chemistry and medicine. Its unique structural features and biological activities make it an important subject of ongoing research. As new synthetic methods and biological insights continue to emerge, 1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexaone is poised to play a significant role in advancing scientific knowledge and developing innovative solutions for various challenges in healthcare.

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