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CS-W001157 4
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1,1,2-Trimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium

  • CAS No. 63149-24-6

  • Cat. No. CS-0071554
  • Purity≥97%
  • MDL No.MFCD02690163

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

1,1,2-Trimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium|CS-0071554

Structure of 63149-24-6

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General Information

  • CAS No. 63149-24-6
  • Cat. No. CS-0071554
  • Purity ≥97%
  • MDL No. MFCD02690163
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₃NO₃S
  • Molecular Weight 345.46
  • Synonym(s) 1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium
  • SMILES O=S(=O)([O-])CCCC[N+]=1C=2C=CC=3C=CC=CC3C2C(C1C)(C)C

Description

This sulfonated benzoindolium salt features a hydrophilic butylsulfonate group enhancing aqueous solubility while maintaining structural integrity. The trimethyl substitution pattern imparts steric protection and electronic stability, enabling reliable use in fluorescent labeling applications under physiological conditions.

Application

This water-soluble benzo[e]indolium salt serves as a versatile building block for fluorescent probes and bioconjugation applications. The sulfonatobutyl group enhances aqueous solubility, while the trimethyl-substituted indolium core provides stability and reactivity in nucleophilic substitution reactions. Its rigid, planar structure facilitates π-stacking interactions and enables efficient labeling of biomolecules under physiological conditions.

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   60.21
  • LogP   3.5613
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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