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CS-W001157 4
Total: USD 88.00

1-phenylcyclobutanecarboxylic acid

  • CAS No. 37828-19-6

  • Cat. No. CS-W000755
  • Purity≥96%
  • MDL No.MFCD00019262

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

1-phenylcyclobutanecarboxylic acid|CS-W000755

Structure of 37828-19-6

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General Information

  • CAS No. 37828-19-6
  • Cat. No. CS-W000755
  • Purity ≥96%
  • MDL No. MFCD00019262
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) 1-phenylcyclobutane-1-carboxylic acid
  • SMILES OC(=O)C1(CCC1)c1ccccc1

Description

1-Phenylcyclobutanecarboxylic acid features a rigid cyclobutane core fused to a phenyl ring, delivering enhanced metabolic stability and defined spatial orientation. This structural motif enables precise molecular positioning in drug discovery campaigns, particularly in targeting conformationally restricted bioactive scaffolds. The carboxylic acid group provides a versatile handle for derivatization, facilitating conjugation or salt formation under standard conditions.

Application

1-Phenylcyclobutanecarboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds and cyclobutane-based drug candidates. Its rigid, three-dimensional structure imparts conformational constraint, enhancing target selectivity and metabolic stability. The carboxylic acid functionality facilitates direct derivatization—such as amide formation, esterification, or activation for coupling reactions—while the phenyl ring supports further functionalization via electrophilic substitution. Bench-stable and readily purified by recrystallization, it functions effectively in both small-molecule synthesis and high-throughput screening campaigns.

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   2.1929
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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