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CS-W001157 4
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1-Phenyloxindole

  • CAS No. 3335-98-6

  • Cat. No. CS-0156113
  • Purity≥98%
  • MDL No.MFCD00234850

*For research and further manufacturing use only, not for direct human use.

1-Phenyloxindole|CS-0156113

Structure of 3335-98-6

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General Information

  • CAS No. 3335-98-6
  • Cat. No. CS-0156113
  • Purity ≥98%
  • MDL No. MFCD00234850
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO
  • Molecular Weight 209.24
  • Synonym(s) N-Phenyloxindole
  • SMILES C1=CC=C(C=C1)N2C3=CC=CC=C3CC2=O

Description

1-Phenyloxindole features a fused oxindole core with a phenyl substituent at the 1-position, delivering enhanced stability and tunable electronic properties. This scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibition and protein-protein interactions. The planar, electron-rich architecture supports efficient π-stacking in biological binding pockets.

Application

1-Phenyloxindole serves as a versatile building block in medicinal chemistry, enabling the construction of biologically relevant heterocyclic scaffolds. Its oxindole core exhibits inherent stability and favorable functional group tolerance, facilitating downstream derivatization via C3 alkylation, N-arylation, or palladium-catalyzed coupling reactions. The phenyl substituent enhances π-stacking potential and modulates electronic properties, supporting its use in target-oriented synthesis.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.9074
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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