Description

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl hexadecanoate (CAS No. 94815-94-8) is a high-purity synthetic organic compound with the molecular formula C₂₄H₃₅NO₄. This specialized ester derivative of hexadecanoic acid and isoindoline-1,3-dione is designed for advanced research and industrial applications. The compound features a unique molecular structure combining a hydrophobic hexadecanoate chain with a reactive isoindol-1,3-dione moiety, making it valuable for material science and pharmaceutical research. Our product is rigorously tested to ensure >98% purity by HPLC analysis, with comprehensive characterization including NMR and mass spectrometry data available upon request. Supplied as a white to off-white crystalline powder, it is packaged under inert atmosphere to ensure stability and long shelf life. Suitable for use as a synthetic intermediate, this compound requires storage at 2-8°C in a tightly sealed container.

Properties

• CAS Number: 94815-94-8
• Complexity: 495
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) hexadecanoate
• InChI: InChI=1S/C24H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(26)29-25-23(27)20-17-15-16-18-21(20)24(25)28/h15-18H,2-14,19H2,1H3
• InChI Key: MMCNYAYRJLNMOH-UHFFFAOYSA-N
• Exact Mass: 401.25660860
• Molecular Formula: C24H35NO4
• Molecular Weight: 401.5
• SMILES: CCCCCCCCCCCCCCCC(=O)ON1C(=O)C2=CC=CC=C2C1=O
• Topological: 63.7
• Monoisotopic Mass: 401.25660860
• Synonyms: SCHEMBL3679722, 94815-94-8, EN300-6523309, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl hexadecanoate

Application

This compound serves as a versatile building block in organic synthesis, particularly for the development of novel pharmaceutical intermediates with potential bioactive properties. Researchers may employ it in the design of prodrugs or as a lipophilic modifier for drug delivery systems. In material science, it can function as a monomer for specialty polymers or as a surface modification agent. The unique combination of its hydrophobic tail and reactive head group makes it suitable for studying structure-activity relationships in various chemical systems.

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