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CAS 306936-24-3

:

1-[2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

Description:
1-[2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid, with CAS number 306936-24-3, is a synthetic organic compound characterized by its complex structure, which includes a pyrrole ring, a carboxylic acid functional group, and a thioether linkage. The presence of a chloro and a fluorine atom on the aromatic ring contributes to its potential biological activity and lipophilicity. This compound may exhibit properties typical of pyrrole derivatives, such as potential anti-inflammatory or anticancer activities, although specific biological data would depend on empirical studies. Its molecular structure suggests it could interact with various biological targets, making it of interest in medicinal chemistry. The compound's solubility, stability, and reactivity would be influenced by the functional groups present, particularly the carboxylic acid, which can participate in hydrogen bonding and ionic interactions. Overall, this compound represents a class of molecules that may have significant pharmacological implications, warranting further investigation in drug development contexts.
Formula:C21H19ClFNO2S
InChI:InChI=1S/C21H19ClFNO2S/c1-14-16(21(25)26)12-20(15-6-3-2-4-7-15)24(14)10-11-27-13-17-18(22)8-5-9-19(17)23/h2-9,12H,10-11,13H2,1H3,(H,25,26)
InChI key:InChIKey=GMWHKVOTUSCEPG-UHFFFAOYSA-N
SMILES:C(CSCC1=C(Cl)C=CC=C1F)N2C(=CC(C(O)=O)=C2C)C3=CC=CC=C3
Synonyms:
  • 1-[2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
  • 1H-Pyrrole-3-carboxylic acid, 1-[2-[[(2-chloro-6-fluorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-
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