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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 86620-62-4

  • Cat. No. CS-W014249
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD02682063

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

4-(4-Methylpiperazin-1-yl)benzoic acid|CS-W014249

Structure of 86620-62-4

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General Information

  • CAS No. 86620-62-4
  • Cat. No. CS-W014249
  • Purity ≥98%
  • MDL No. MFCD02682063
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆N₂O₂
  • Molecular Weight None
  • Synonym(s) 4-(4-methylpiperazino)benzoic acid
  • SMILES O=C(O)C1=CC=C(N2CCN(C)CC2)C=C1

Description

4-(4-Methylpiperazin-1-yl)benzoic acid features a polar carboxylic acid group conjugated to an electron-rich aromatic ring, enabling robust coupling reactions. The pendant methylpiperazine moiety imparts enhanced solubility and hydrogen-bonding capacity, facilitating integration into bioconjugation workflows and medicinal chemistry scaffolds under standard conditions.

Application

4-(4-Methylpiperazin-1-yl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and drug candidates. Its carboxylic acid functionality facilitates direct amidation or esterification, while the piperazine ring offers hydrogen-bonding capacity and metabolic stability. The compound exhibits good bench stability, moderate solubility, and tolerance to a range of reaction conditions, supporting its use in iterative synthesis campaigns and high-throughput screening libraries.

Safety Information

Download SDS
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

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Computational Chemistry Data

  • TPSA   43.78
  • LogP   1.1366
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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