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4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochloride

  • CAS No. 1305320-63-1

  • Cat. No. CS-0188084
  • Purity≥97%
  • MDL No.None

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

4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochloride|CS-0188084

Structure of 1305320-63-1

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General Information

  • CAS No. 1305320-63-1
  • Cat. No. CS-0188084
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₆H₃₂Cl₂N₂O₂
  • Molecular Weight 475.45
  • Synonym(s) L-Mandelic Acid Acetate
  • SMILES CC1(C)CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl.Cl

Description

This piperazine-based benzoic acid derivative features a hydrochloride salt that enhances solubility and stability. The molecule integrates a chlorophenyl-cyclohexene scaffold with a terminal carboxylic acid, enabling efficient conjugation in bioactive compound design. Its bench-stable form facilitates handling in medicinal chemistry workflows.

Application

4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochloride serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive scaffolds through standard amide coupling and derivatization reactions. The piperazine moiety provides enhanced solubility and hydrogen-bonding capacity, while the hydrochloride salt ensures improved crystallinity and shelf stability. Its functional group tolerance facilitates downstream modifications in drug discovery 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   6.2459
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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