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CS-W001157 4
Total: USD 88.00

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid

  • CAS No. 56842-95-6

  • Cat. No. CS-W000132
  • Purity≥97%
  • MDL No.MFCD20621127

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

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid|CS-W000132

Structure of 56842-95-6

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General Information

  • CAS No. 56842-95-6
  • Cat. No. CS-W000132
  • Purity ≥97%
  • MDL No. MFCD20621127
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈O₄
  • Molecular Weight 156.14
  • Synonym(s) None
  • SMILES O=C(O)C12CC(C(=O)O)(C1)C2

Description

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid features a rigid, strained hydrocarbon core that imparts exceptional stability and defined spatial orientation. This dicarboxylic acid integrates readily into synthetic scaffolds requiring compact, three-dimensional architecture. Its high thermal resilience and resistance to racemization make it ideal for medicinal chemistry applications where structural integrity under reaction conditions is critical.

Application

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid serves as a rigid, sterically constrained scaffold for medicinal chemistry and materials science applications. Its high symmetry and exceptional stability enable efficient functionalization at both carboxylic acid sites, facilitating coupling reactions with broad compatibility across amine-, alcohol-, and thiol-containing substrates. The bicyclic core imparts enhanced metabolic stability and modulates physicochemical properties in drug candidates.

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   74.6
  • LogP   0.3259
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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