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CAS 154325-77-6

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Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate

Description:
Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate, with CAS number 154325-77-6, is a synthetic organic compound characterized by its complex structure, which includes an indole core, a propanoate ester, and various substituents that contribute to its chemical properties. The presence of a 4-chlorophenyl group suggests potential for significant biological activity, as halogenated phenyl groups often enhance lipophilicity and receptor binding. The thioether functionality, derived from the tert-butylthio group, may influence the compound's stability and reactivity. Additionally, the hydroxyl group on the indole ring can participate in hydrogen bonding, affecting solubility and interaction with biological targets. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry. However, detailed studies on its specific reactivity, biological activity, and safety profile would be necessary to fully understand its potential applications and implications in various fields, including pharmaceuticals and agrochemicals.
Formula:C26H32ClNO3S
InChI:InChI=1S/C26H32ClNO3S/c1-7-31-24(30)26(5,6)15-22-23(32-25(2,3)4)20-14-19(29)12-13-21(20)28(22)16-17-8-10-18(27)11-9-17/h8-14,29H,7,15-16H2,1-6H3
InChI key:InChIKey=AVBTZHWSUJBQKD-UHFFFAOYSA-N
SMILES:C(C(C(OCC)=O)(C)C)C1=C(SC(C)(C)C)C=2C(N1CC3=CC=C(Cl)C=C3)=CC=C(O)C2
Synonyms:
  • 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-, ethyl ester
  • Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate
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