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CS-W001157 4
Total: USD 88.00

trans-4-Propylcyclohexanecarboxylic acid

  • CAS No. 38289-27-9

  • Cat. No. CS-W023033
  • Purity≥97%
  • MDL No.MFCD00059559

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

trans-4-Propylcyclohexanecarboxylic acid|CS-W023033

Structure of 38289-27-9

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General Information

  • CAS No. 38289-27-9
  • Cat. No. CS-W023033
  • Purity ≥97%
  • MDL No. MFCD00059559
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈O₂
  • Molecular Weight 170.25
  • Synonym(s) trans-4-n-Propylcyclohexanecarboxylic acid
  • SMILES CCC[C@H]1CC[C@@H](CC1)C(O)=O

Description

trans-4-Propylcyclohexanecarboxylic acid features a rigid cyclohexane scaffold with a propyl group and carboxylic acid moiety in trans configuration, enabling predictable stereochemical behavior. This bench-stable derivative exhibits enhanced lipophilicity and conformational stability, facilitating its use in medicinal chemistry campaigns and as a building block for bioactive molecules requiring defined spatial orientation.

Application

trans-4-Propylcyclohexanecarboxylic acid serves as a robust, bench-stable building block for cyclohexane-based bioactive molecule synthesis. Its rigid trans-configuration provides defined stereochemical control, while the carboxylic acid functionality enables straightforward derivatization via esterification, amide coupling, or decarboxylation. The propyl substituent enhances lipophilicity and modulates metabolic stability, making it valuable in medicinal chemistry campaigns targeting GPCR modulators and kinase inhibitors.

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 45, # 35 p. 6669 - 6672

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   37.3
  • LogP   2.6775
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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