ChemSpider 2D Image | CI 1020 | C28H26O9

CI 1020

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID8046521

More details:

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

162256-50-0 [RN]
2(5H)-Furanone, 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanone [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-méthoxyphényl)-4-(3,4,5-triméthoxybenzyl)-2(5H)-furanone [French] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(3,4,5-trimethoxybenzyl)furan-2(5H)-one
CI 1020
[162256-50-0] [RN]
1346602-45-6 [RN]
2(5H)-Furanone,3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]-
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 2942

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 2942
      Endothelin Receptors Tocris Bioscience 2942
      Highly selective, orally active ETA antagonist Tocris Bioscience 2942
      Highly selective, orally active, non-peptide endothelin-A receptor (ETA) antagonist (IC50 values are 0.3 and 480 nM for ETA and ETB receptors respectively). Antihypertensive; blocks ET-1-induced press or responses following oral administration. Tocris Bioscience 2942
      Highly selective, orally active, non-peptide endothelin-A receptor (ETA) antagonist (IC50 values are 0.3 and 480 nM for ETA and ETB receptors respectively). Antihypertensive; blocks ET-1-induced pressor responses following oral administration. Tocris Bioscience 2942
      Peptide Receptors Tocris Bioscience 2942

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 242.5±26.4 °C
Index of Refraction: 1.623
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.29
ACD/KOC (pH 5.5): 859.87
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.87
ACD/KOC (pH 7.4): 836.33
Polar Surface Area: 102 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 374.8±3.0 cm3

Click to predict properties on the Chemicalize site


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