ChemSpider 2D Image | Tipelukast | C29H38O7S

Tipelukast

  • Molecular FormulaC29H38O7S
  • Average mass530.673 Da
  • Monoisotopic mass530.233826 Da
  • ChemSpider ID8068898

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

125961-82-2 [RN]
4-(6-acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid
4-(6-Acetyl-3-{3-[(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl]propoxy}-2-propylphenoxy)butanoic acid [ACD/IUPAC Name]
4-(6-Acetyl-3-{3-[(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl]propoxy}-2-propylphenoxy)butansäure [German] [ACD/IUPAC Name]
Acide 4-(6-acétyl-3-{3-[(4-acétyl-3-hydroxy-2-propylphényl)sulfanyl]propoxy}-2-propylphénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[6-acetyl-3-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]-2-propylphenoxy]- [ACD/Index Name]
Tipelukast [USAN]
4-(6-Acetyl-3-(3-((4-acetyl-3-hydroxy-2-propylphenyl)thio)propoxy)-2-propylphenoxy)butanoic acid
4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-2-propylphenoxy]butanoic acid
4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylpropoxy]-2-propyl-phenoxy]butanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

08379P260O [DBID]
8741 [DBID]
KCA-757 [DBID]
MN-001 [DBID]
UNII:08379P260O [DBID]
UNII-08379P260O [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 735.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.6±3.0 kJ/mol
    Flash Point: 398.5±32.9 °C
    Index of Refraction: 1.582
    Molar Refractivity: 145.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 2
    ACD/LogP: 7.85
    ACD/LogD (pH 5.5): 5.68
    ACD/BCF (pH 5.5): 7171.35
    ACD/KOC (pH 5.5): 10662.38
    ACD/LogD (pH 7.4): 3.88
    ACD/BCF (pH 7.4): 112.51
    ACD/KOC (pH 7.4): 167.27
    Polar Surface Area: 135 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 56.2±5.0 dyne/cm
    Molar Volume: 434.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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