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CS-W001157 4
Total: USD 88.00

Bicyclo[2.2.2]octane-1-carboxylic acid

  • CAS No. 699-55-8

  • Cat. No. CS-W008717
  • Purity≥95%
  • MDL No.MFCD00218755

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

Bicyclo[2.2.2]octane-1-carboxylic acid|CS-W008717

Structure of 699-55-8

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General Information

  • CAS No. 699-55-8
  • Cat. No. CS-W008717
  • Purity ≥95%
  • MDL No. MFCD00218755
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₂
  • Molecular Weight None
  • Synonym(s) bicyclo[2.2.2]octane-4-carboxylic acid
  • SMILES OC(C1(CC2)CCC2CC1)=O

Description

Bicyclo[2.2.2]octane-1-carboxylic acid features a rigid, polycyclic core that imparts exceptional structural stability and spatial definition. This scaffold integrates seamlessly into bioactive molecule design, offering enhanced metabolic resistance and controlled conformational flexibility. The carboxylic acid functionality enables direct derivatization for conjugation or salt formation.

Application

Bicyclo[2.2.2]octane-1-carboxylic acid serves as a rigid, three-dimensional building block in medicinal chemistry and materials science. Its bicyclic scaffold imparts high conformational stability and enhances metabolic resistance. The carboxylic acid group enables direct derivatization into amides, esters, or acyl chlorides, facilitating integration into bioactive molecules. The compound exhibits excellent bench stability, mild handling requirements, and compatibility with standard coupling protocols, making it a practical choice for synthetic route development and structure-activity studies.

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   2.0414
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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