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CAS 154325-76-5

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

Description:
Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-methoxy-α,α-dimethyl-1H-indole-2-propanoate, with CAS number 154325-76-5, 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 biological activity, while the methoxy and thioether functionalities may influence its solubility and reactivity. This compound is likely to exhibit moderate lipophilicity due to the bulky groups attached to the indole structure, which can affect its pharmacokinetics if studied for medicinal applications. Additionally, the presence of the ethyl ester indicates that it may undergo hydrolysis under certain conditions, releasing the corresponding acid. Overall, the unique combination of functional groups and structural features positions this compound as a candidate for further research in fields such as medicinal chemistry or agrochemicals, although specific biological activities and applications would require empirical investigation.
Formula:C27H34ClNO3S
InChI:InChI=1S/C27H34ClNO3S/c1-8-32-25(30)27(5,6)16-23-24(33-26(2,3)4)21-15-20(31-7)13-14-22(21)29(23)17-18-9-11-19(28)12-10-18/h9-15H,8,16-17H2,1-7H3
InChI key:InChIKey=JPXNJCVPJOZELR-UHFFFAOYSA-N
SMILES:C(N1C(CC(C(OCC)=O)(C)C)=C(SC(C)(C)C)C=2C1=CC=C(OC)C2)C3=CC=C(Cl)C=C3
Synonyms:
  • Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-methoxy-α,α-dimethyl-1H-indole-2-propanoate
  • 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-methoxy-α,α-dimethyl-, ethyl ester
  • 1-[(4-Chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-methoxy-α,α-dimethyl-1H-indole-2-propanoic acid ethyl ester
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