CAS 53108-00-2

[(6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxoindan-5-yl)oxy]acetic acid

Description:

[(6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxoindan-5-yl)oxy]acetic acid, with the CAS number 53108-00-2, is a chemical compound characterized by its complex structure, which includes a bicyclic indanone moiety substituted with chlorine and cyclopentyl groups. This compound features an ether linkage due to the presence of the oxy group, which connects the indanone structure to the acetic acid functional group. The dichloro substitutions enhance its reactivity and may influence its biological activity, making it of interest in medicinal chemistry. The presence of the cyclopentyl and methyl groups contributes to its steric properties, potentially affecting its interaction with biological targets. As with many compounds containing halogens, it may exhibit unique solubility and stability characteristics. The compound's potential applications could span various fields, including pharmaceuticals and agrochemicals, although specific uses would depend on further research into its biological activity and safety profile.

Formula: C₁₇H₁₈Cl₂O₄

InChI: InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)

InChI key: InChIKey=RNOJGTHBMJBOSP-UHFFFAOYSA-N

SMILES: O=C1C=2C(CC1(C)C3CCCC3)=CC(OCC(O)=O)=C(Cl)C2Cl

Synonyms:

• Acetic acid, 2-[(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy]-
• (±)-[(6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-5-indanyl)oxy]acetic acid
• Acetic acid, [(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy]-
• 2-[(6,7-Dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy]acetic acid
• Acetic acid, [(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy]-, (±)-

IAA-94

CAS: 53108-00-2

IAA-94 is an inhibitor of chloride channels, it binds channels in bovine kidney cortex microsomes with a Ki value of 1 µM.

Formula: C₁₇H₁₈Cl₂O₄

Color and Shape: Solid

Molecular weight: 357.23

Ref: TM-T27567