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CS-W001157 4
Total: USD 88.00

2-Cycloheptylacetic acid

  • CAS No. 4401-20-1

  • Cat. No. CS-0137653
  • Purity≥95%
  • MDL No.MFCD01075701

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

2-Cycloheptylacetic acid|CS-0137653

Structure of 4401-20-1

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General Information

  • CAS No. 4401-20-1
  • Cat. No. CS-0137653
  • Purity ≥95%
  • MDL No. MFCD01075701
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₂
  • Molecular Weight 156.22
  • Synonym(s) CYCLOHEPTYLACETIC ACID
  • SMILES OC(CC1CCCCCC1)=O

Description

2-Cycloheptylacetic acid features a cycloheptyl ring directly attached to an acetic acid side chain, providing a rigid, hydrophobic scaffold ideal for probing steric and electronic effects in medicinal chemistry. This structural motif enhances membrane permeability and metabolic stability in bioactive molecule design.

Application

2-Cycloheptylacetic acid serves as a valuable building block for the synthesis of bioactive molecules and pharmaceutical intermediates. Its cycloheptyl moiety imparts lipophilic character and conformational rigidity, enabling its use in scaffold diversification. The carboxylic acid group facilitates straightforward derivatization via esterification, amidation, or coupling reactions, offering robust functional group tolerance and compatibility with standard synthetic workflows. The compound exhibits good bench stability and ease of purification, making it well-suited for iterative medicinal chemistry campaigns and process-scale applications.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335-H411
Precautionary Statements : P261-P273-P280

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.4315
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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