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CS-W001157 4
Total: USD 88.00

trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid

  • CAS No. 49708-81-8

  • Cat. No. CS-W012833
  • Purity≥97%
  • MDL No.MFCD06797626

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

trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid|CS-W012833

Structure of 49708-81-8

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General Information

  • CAS No. 49708-81-8
  • Cat. No. CS-W012833
  • Purity ≥97%
  • MDL No. MFCD06797626
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅ClO₂
  • Molecular Weight 238.71
  • Synonym(s) (1r,4r)-4-(4-Chlorophenyl)cyclohexanecarboxylic acid
  • SMILES ClC1=CC=C([C@@]2([H])CC[C@@](C(O)=O)([H])CC2)C=C1

Description

trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid features a rigid cyclohexane core with a para-chlorophenyl substituent and a carboxylic acid handle, enabling integration into bioactive scaffolds. The trans configuration ensures optimal spatial orientation for target engagement, while the electron-withdrawing chlorine enhances metabolic stability. This bench-stable derivative serves as a key building block in medicinal chemistry campaigns targeting GPCR modulators and kinase inhibitors.

Application

trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through established functional group transformations. Its stable cyclohexane core and ortho-directed substituents facilitate regioselective derivatization, while the carboxylic acid group supports direct coupling or salt formation. The compound exhibits excellent bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in 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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.6984
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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