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CS-W001157 4
Total: USD 88.00

3-Isopropyl-1H-indole

  • CAS No. 16886-00-3

  • Cat. No. CS-0163316
  • Purity≥97%
  • MDL No.None

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

3-Isopropyl-1H-indole|CS-0163316

Structure of 16886-00-3

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General Information

  • CAS No. 16886-00-3
  • Cat. No. CS-0163316
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N
  • Molecular Weight 159.23
  • Synonym(s) 1H-Indole,3-(1-methylethyl)-(9CI)
  • SMILES CC(C1=CNC2=C1C=CC=C2)C

Description

3-Isopropyl-1H-indole features a sterically hindered isopropyl group at the 3-position of the indole core, enhancing solubility and stability. This substitution pattern imparts favorable handling characteristics while maintaining reactivity in synthetic transformations. The molecule serves as a key scaffold for bioactive compound development.

Application

3-Isopropyl-1H-indole serves as a versatile building block in medicinal chemistry, enabling the synthesis of indole-based scaffolds with enhanced lipophilicity and metabolic stability. Its functional group tolerance facilitates downstream derivatization, including Pd-catalyzed cross-couplings and electrophilic substitutions, while its bench-stable solid form simplifies handling and purification in multi-step syntheses.

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 : H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   3.2913
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   1

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