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3-Cyclohexylisoxazole-5-carboxylic acid

  • CAS No. 876716-46-0

  • Cat. No. CS-0271614
  • Purity≥95%
  • MDL No.None
  • HazMat Fee +

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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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

3-Cyclohexylisoxazole-5-carboxylic acid|CS-0271614

Structure of 876716-46-0

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Description

3-Cyclohexylisoxazole-5-carboxylic acid features a rigid isoxazole core fused with a cyclohexyl substituent, delivering enhanced metabolic stability and lipophilic character. This scaffold integrates seamlessly into bioactive molecule design, particularly in medicinal chemistry campaigns targeting CNS-penetrant therapeutics. The carboxylic acid group enables direct conjugation or salt formation for improved solubility and formulation flexibility.

Application

3-Cyclohexylisoxazole-5-carboxylic acid serves as a versatile building block for bioactive heterocycles, enabling efficient access to isoxazole-based scaffolds in medicinal chemistry. The carboxylic acid functionality facilitates direct derivatization via amide coupling or esterification, while the cyclohexyl group provides favorable lipophilic character and metabolic stability. Bench-stable and compatible with standard purification methods, it functions reliably in multistep synthesis workflows.

General Information

  • CAS No. 876716-46-0
  • Cat. No. CS-0271614
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₃
  • Molecular Weight 195.22
  • Synonym(s) 3-cyclohexyl-1,2-oxazole-5-carboxylic acid
  • SMILES C1CCC(CC1)C2=NOC(=C2)C(=O)O

Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.4205
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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
Precautionary Statements : P264-P270-P330-P501

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