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CS-W001157 4
Total: USD 88.00

4-(trans-4-n-Propylcyclohexyl)benzoic acid

  • CAS No. 65355-29-5

  • Cat. No. CS-W010233
  • Purity≥97%
  • MDL No.MFCD06658177

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

4-(trans-4-n-Propylcyclohexyl)benzoic acid|CS-W010233

Structure of 65355-29-5

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General Information

  • CAS No. 65355-29-5
  • Cat. No. CS-W010233
  • Purity ≥97%
  • MDL No. MFCD06658177
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂O₂
  • Molecular Weight 246.35
  • Synonym(s) 4-(4-TRANS-N-PROPYLCYCLOHEXYL)BENZOIC ACID
  • SMILES CCC[C@H]1CC[C@@H](CC1)C1=CC=C(C=C1)C(O)=O

Description

This trans-4-n-propylcyclohexyl-substituted benzoic acid features a rigid, lipophilic cyclohexyl scaffold that enhances membrane permeability and metabolic stability. The para-positioned carboxylic acid group enables direct conjugation or derivatization in bioconjugate chemistry and drug discovery applications.

Application

4-(trans-4-n-Propylcyclohexyl)benzoic acid serves as a versatile building block for bioactive molecule synthesis, leveraging the trans-cyclohexyl scaffold to impart conformational rigidity and enhanced lipophilicity. The carboxylic acid group enables direct derivatization via esterification, amidation, or coupling reactions, while the n-propyl substituent offers tunable hydrophobicity. Bench-stable and compatible with standard purification methods, it facilitates efficient access to pharmaceutical intermediates and functionalized aromatic systems in medicinal chemistry workflows.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      1-Bromo-4-(trans-4-propylcyclohexyl)benzene|CS-0152579
      86579-53-5
    • ~%
    • In-stock
      4-(trans-4-n-Propylcyclohexyl)benzoic acid|CS-W010233
      65355-29-5

    References

    • US2003/211421 A1, ;
  • Route2
    • null|null
      71-43-2
    • ~%
    • In-stock
      4-(trans-4-n-Propylcyclohexyl)benzoic acid|CS-W010233
      65355-29-5

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 19, p. 1479 - 1483 Zhurnal Organicheskoi Khimii, , vol. 19, # 8 p. 1669 - 1674
  • Route3
    • 1-(4-(trans-4-Propylcyclohexyl)phenyl)ethan-1-one|CS-0672016
      78531-61-0
    • ~%
    • In-stock
      4-(trans-4-n-Propylcyclohexyl)benzoic acid|CS-W010233
      65355-29-5

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 19, p. 1479 - 1483 Zhurnal Organicheskoi Khimii, , vol. 19, # 8 p. 1669 - 1674

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   4.4587
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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