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CS-W001157 4
Total: USD 88.00

4-(4-Ethylpiperazin-1-yl)benzoic acid

  • CAS No. 784130-66-1

  • Cat. No. CS-W003259
  • Purity≥98%
  • MDL No.MFCD05864834

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

4-(4-Ethylpiperazin-1-yl)benzoic acid|CS-W003259

Structure of 784130-66-1

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General Information

  • CAS No. 784130-66-1
  • Cat. No. CS-W003259
  • Purity ≥98%
  • MDL No. MFCD05864834
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈N₂O₂
  • Molecular Weight 234.29
  • Synonym(s) T6N DNTJ A2 DR DVQ
  • SMILES CCN1CCN(C2=CC=C(C(O)=O)C=C2)CC1

Description

4-(4-Ethylpiperazin-1-yl)benzoic acid features a piperazine ring appended with an ethyl group and linked to a benzoic acid moiety, enabling integration into bioactive scaffolds. The electron-rich piperazine enhances solubility and hydrogen bonding capacity, while the carboxylic acid provides a versatile handle for conjugation. This structure supports modular synthesis in medicinal chemistry applications.

Application

4-(4-Ethylpiperazin-1-yl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive compounds through amide bond formation and derivatization at the carboxylic acid terminus. The piperazine ring offers enhanced solubility and metabolic stability, while the ethyl substitution improves lipophilicity and pharmacokinetic properties. Its bench-stable nature and compatibility with standard coupling protocols make it well-suited for high-throughput screening and API development workflows.

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   43.78
  • LogP   1.5267
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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