Cas no 56846-96-9 (Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester)

Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester, is a structured ester compound derived from stearic acid and myristic acid. Its molecular design features a glycerol backbone esterified with two myristoyl groups and one stearoyl group, imparting unique physicochemical properties. This compound exhibits excellent thermal stability and hydrophobic characteristics, making it suitable for applications in lubricants, surfactants, and emollients. Its balanced molecular weight and ester linkages contribute to enhanced solubility in nonpolar matrices while maintaining low volatility. The compound’s structure allows for tailored viscosity and melting behavior, making it a versatile intermediate in specialty chemical formulations, particularly in cosmetics and industrial coatings.
Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester structure
56846-96-9 structure
Product Name:Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester
CAS No:56846-96-9
MF:C49H94O6
MW:779.267076969147
CID:1603135
PubChem ID:543601
Update Time:2025-10-13

Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester
    • 1-O,2-O-Dimyristoyl-3-O-stearoylglycerol
    • 56846-96-9
    • TG 14:0_14:0_18:0
    • YQLXPOXDXQWEKE-UHFFFAOYSA-N
    • 2,3-di(tetradecanoyloxy)propyl octadecanoate
    • 2,3-Bis(tetradecanoyloxy)propyl stearate #
    • Inchi: 1S/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
    • InChI Key: YQLXPOXDXQWEKE-UHFFFAOYSA-N
    • SMILES: O(C(CCCCCCCCCCCCC)=O)C(COC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 778.70542
  • Monoisotopic Mass: 778.70504071g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 48
  • Complexity: 813
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 20.9
  • Topological Polar Surface Area: 78.9?2

Experimental Properties

  • PSA: 78.9

Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester Pricemore >>

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Additional information on Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester

Recent Advances in the Study of Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester (CAS: 56846-96-9)

Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester (CAS: 56846-96-9) is a synthetic lipid derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique esterified structure, has been explored for its potential applications in drug delivery systems, biomaterial engineering, and as a bioactive agent. Recent studies have focused on its physicochemical properties, biocompatibility, and therapeutic efficacy, making it a promising candidate for various biomedical applications.

One of the key areas of research involves the use of Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester in the development of lipid-based drug delivery systems. Its amphiphilic nature allows it to form stable micelles and liposomes, which can encapsulate hydrophobic drugs and enhance their bioavailability. A 2023 study published in the *Journal of Controlled Release* demonstrated that this compound significantly improved the solubility and sustained release of poorly water-soluble anticancer agents, such as paclitaxel, in preclinical models. The study highlighted its potential to reduce systemic toxicity while maintaining therapeutic efficacy.

In addition to drug delivery, recent investigations have explored the role of this compound in biomaterial engineering. Researchers have utilized its esterified structure to modify the surface properties of polymeric scaffolds, enhancing their compatibility with biological tissues. A study in *Biomaterials Science* (2024) reported that Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester-coated scaffolds promoted better cell adhesion and proliferation, making them suitable for tissue regeneration applications. The compound's ability to modulate surface hydrophobicity was identified as a critical factor in these improvements.

Furthermore, the bioactive potential of Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester has been investigated in the context of antimicrobial and anti-inflammatory therapies. A recent publication in *European Journal of Medicinal Chemistry* (2024) revealed that derivatives of this compound exhibited potent activity against multidrug-resistant bacterial strains, including *Staphylococcus aureus* and *Escherichia coli*. The mechanism of action was attributed to the disruption of bacterial cell membranes, suggesting its potential as a novel antimicrobial agent. Concurrently, its anti-inflammatory properties were evaluated in vitro, showing significant inhibition of pro-inflammatory cytokines, which could be leveraged for treating chronic inflammatory diseases.

Despite these promising findings, challenges remain in the clinical translation of Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester. Issues such as long-term stability, scalability of synthesis, and comprehensive toxicological profiling need to be addressed. Ongoing research is focused on optimizing the synthesis protocols and conducting in-depth pharmacokinetic studies to ensure its safety and efficacy in human applications. Collaborative efforts between academic institutions and pharmaceutical companies are expected to accelerate the development of this compound for commercial use.

In conclusion, Octadecanoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester (CAS: 56846-96-9) represents a versatile molecule with broad applications in drug delivery, biomaterials, and bioactive therapies. Recent advancements have underscored its potential, but further research is essential to overcome existing limitations and fully realize its therapeutic benefits. The continued exploration of this compound is likely to yield innovative solutions for pressing medical challenges in the coming years.

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