2-Isopropyl-6-propylphenol

CAS: 74663-48-2

Ref. 3D-II24705

Product Information

• Name: 2-Isopropyl-6-propylphenol
• Synonyms: 2-(1-Methylethyl)-6-propyl phenolPropofol impurity O, 2-(Propan-2-Yl)-6-Propylphenol, Phenol, 2-(1-Methylethyl)-6-Propyl-, 2-Isopropyl-6-Propylphenol (Propofol Impurity O)

Description

2-Isopropyl-6-propylphenol is a reactive alkylating agent that reacts with proteins and enzymes. It binds to the hydroxyl group of a protein target, which modifies the activity of the target molecule by introducing a new functional group. 2-Isopropyl-6-propylphenol has been shown to bind to the active site of several enzymes, including human serum albumin and cytochrome P450 reductase. The binding constants for these targets have been determined computationally using an algorithm based on quantum chemical calculations. These values are in good agreement with experimental data obtained from titration calorimetry experiments at different temperatures.

• Brand: Biosynth

Chemical properties

• Molecular weight: 178.27 g/mol
• Formula: C₁₂H₁₈O
• Purity: Min. 95%
• Color/Form: Clear Liquid
• InChI: InChI=1S/C12H18O/c1-4-6-10-7-5-8-11(9(2)3)12(10)13/h5,7-9,13H,4,6H2,1-3H3
• InChI key: InChIKey=JNTNBZKUWHRIGW-UHFFFAOYSA-N
• SMILES: CCCc1cccc(C(C)C)c1O