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CS-W001157 4
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2-Acetamido-4-phenylbutanoic acid

  • CAS No. 60505-02-4

  • Cat. No. CS-0149808
  • Molecule weight221.25
  • Purity≥97%
  • MDL No.MFCD18862874

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

2-Acetamido-4-phenylbutanoic acid|CS-0149808

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General Information

  • CAS No. 60505-02-4
  • Cat. No. CS-0149808
  • Purity ≥97%
  • MDL No. MFCD18862874
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₃
  • Molecular Weight 221.25
  • Synonym(s) None
  • SMILES O=C(O)C(CCC1=CC=CC=C1)NC(C)=O

Description

2-Acetamido-4-phenylbutanoic acid features a phenyl-substituted aliphatic chain with a strategically positioned acetamido group, enabling integration into bioactive scaffolds. This amide-bearing architecture enhances metabolic stability and supports hydrogen bonding in target engagement. The molecule exhibits favorable solubility under standard conditions, facilitating use in synthetic workflows and medicinal chemistry campaigns.

Application

2-Acetamido-4-phenylbutanoic acid serves as a versatile building block for the synthesis of bioactive heterocycles and peptide-like scaffolds. Its amide and carboxylic acid functionalities enable straightforward coupling reactions, while the phenyl group provides structural rigidity and π-interaction potential. The molecule exhibits good bench stability and is compatible with standard protecting group strategies, facilitating its use in medicinal chemistry campaigns targeting CNS-active compounds and kinase inhibitors.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.2085
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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