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CAS 129541-42-0

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5-Bromo-4-chloro-1H-indol-3-yl octanoate

Description:
5-Bromo-4-chloro-1H-indol-3-yl octanoate is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of bromine and chlorine substituents at the 5 and 4 positions, respectively, contributes to its unique reactivity and potential biological activity. The octanoate group, derived from octanoic acid, introduces a hydrophobic tail that can influence the compound's solubility and membrane permeability. This compound may exhibit properties relevant to medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Its molecular structure suggests potential interactions with biological targets, making it of interest in research related to drug design and synthesis. Additionally, the presence of halogen atoms often enhances the compound's stability and reactivity in various chemical reactions. As with many indole derivatives, it may also possess interesting photophysical properties, which could be explored in applications such as fluorescence or as a probe in biological systems.
Formula:C16H19BrClNO2
InChI:InChI=1S/C16H19BrClNO2/c1-2-3-4-5-6-7-14(20)21-13-10-19-12-9-8-11(17)16(18)15(12)13/h8-10,19H,2-7H2,1H3
InChI key:InChIKey=QTWMXGHFXBQNEJ-UHFFFAOYSA-N
SMILES:O(C(CCCCCCC)=O)C=1C=2C(NC1)=CC=C(Br)C2Cl
Synonyms:
  • Octanoic acid, 5-bromo-4-chloro-1H-indol-3-yl ester
  • 5-Bromo-4-chloro-1H-indol-3-yl octanoate
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