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CAS 914349-09-0

:

1,1-Dimethylethyl 3-(hydroxymethyl)-4-(phenylmethoxy)-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-(hydroxymethyl)-4-(phenylmethoxy)-1H-indole-1-carboxylate, with the CAS number 914349-09-0, is a chemical compound characterized by its complex structure, which includes an indole ring, a carboxylate group, and various substituents that contribute to its unique properties. This compound typically exhibits moderate to high lipophilicity due to the presence of the phenylmethoxy group, which can influence its solubility in organic solvents. The hydroxymethyl group may impart some degree of polarity, potentially affecting its interactions in biological systems. Additionally, the presence of the dimethyl group can enhance steric hindrance, which may influence the compound's reactivity and binding affinity in biochemical contexts. Such compounds are often studied for their potential pharmacological activities, including anti-inflammatory or anticancer properties, owing to the indole moiety's known biological significance. Overall, the characteristics of this compound suggest a complex interplay of hydrophobic and hydrophilic interactions, making it a subject of interest in medicinal chemistry and drug design.
Formula:C21H23NO4
InChI:InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-12-16(13-23)19-17(22)10-7-11-18(19)25-14-15-8-5-4-6-9-15/h4-12,23H,13-14H2,1-3H3
InChI key:InChIKey=SRIUXQDQJCAGOQ-UHFFFAOYSA-N
SMILES:O(CC1=CC=CC=C1)C2=C3C(N(C(OC(C)(C)C)=O)C=C3CO)=CC=C2
Synonyms:
  • 1,1-Dimethylethyl 3-(hydroxymethyl)-4-(phenylmethoxy)-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 3-(hydroxymethyl)-4-(phenylmethoxy)-, 1,1-dimethylethyl ester
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