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CS-W001157 4
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1-(Benzo[b]thiophen-4-yl)piperazine

  • CAS No. 846038-18-4

  • Cat. No. CS-0052927
  • Molecule weight218.32
  • Purity≥97%
  • MDL No.MFCD22036633

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

1-(Benzo[b]thiophen-4-yl)piperazine|CS-0052927

Structure of 846038-18-4

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General Information

  • CAS No. 846038-18-4
  • Cat. No. CS-0052927
  • Purity ≥97%
  • MDL No. MFCD22036633
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂S
  • Molecular Weight 218.32
  • Synonym(s) 4-(1-Piperazinyl)benzo[b]thiophene
  • SMILES C1CN(CCN1)C1=C2C=CSC2=CC=C1

Description

1-(Benzo[b]thiophen-4-yl)piperazine features a fused heteroaromatic core that imparts enhanced electron density and metabolic stability, enabling robust integration into bioactive scaffolds. This piperazine derivative serves as a key building block in medicinal chemistry, where its planar aromatic system facilitates π–π stacking interactions in target binding pockets. The molecule exhibits favorable solubility profiles under standard conditions, supporting efficient coupling reactions and downstream derivatization.

Application

1-(Benzo[b]thiophen-4-yl)piperazine serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard coupling reactions. Its benzo[b]thiophene core provides enhanced metabolic stability and π-stacking potential, while the piperazine moiety offers multiple sites for functionalization. The compound exhibits good bench stability, facilitates purification via standard chromatographic methods, and demonstrates broad compatibility with common synthetic transformations, making it a practical choice for lead optimization and API development.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   15.27
  • LogP   2.3109
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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