ChemSpider 2D Image | ASP7663 | C14H14FNO3

ASP7663

  • Molecular FormulaC14H14FNO3
  • Average mass263.264 Da
  • Monoisotopic mass263.095764 Da
  • ChemSpider ID24676635

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-(7-Fluor-1-isobutyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)essigsäure [German] [ACD/IUPAC Name]
(2E)-(7-Fluoro-1-isobutyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetic acid [ACD/IUPAC Name]
(2E)-2-[7-Fluoro-1,2-dihydro-1-(2-methylpropyl)-2-oxo-3H-indol-3-ylidene]acetic acid
(E)-[7-Fluoro-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetic acid
1190217-35-6 [RN]
Acetic acid, 2-[7-fluoro-1,2-dihydro-1-(2-methylpropyl)-2-oxo-3H-indol-3-ylidene]-, (2E)- [ACD/Index Name]
Acide (2E)-(7-fluoro-1-isobutyl-2-oxo-1,2-dihydro-3H-indol-3-ylidène)acétique [French] [ACD/IUPAC Name]
ASP7663
(2E)-2-[7-fluoro-1,2-dihydro-1-(2-methylpropyl)-2-oxo-3H-indol-3-ylidene]-acetic acid
[(3E)-7-FLUORO-1-(2-METHYLPROPYL)-2-OXOINDOL-3-YLIDENE]ACETIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Ion Channels Tocris Bioscience 5178
      Selective TRPA1 activator Tocris Bioscience 5178
      Selective TRPA1 activator (EC50 values are ~0.5 ?M in human, mouse and rat). Displays little or no affinity at more than 60 other related receptors, channels and enzymes. Stimulates 5-HT release from QGP-1 cells. Exhibits an abdominal analgesic effect in vivo. Orally bioavailable. Tocris Bioscience 5178
      Selective TRPA1 activator (EC50 values are ~0.5 ?M in human, mouse and rat). Displays little or no affinity at more than 60 other related receptors, channels and enzymes. Stimulates 5-HT release from QGP-1 cells. Exhibits an abdominal analgesic effect in vivo. Orally bioavailable. Tocris Bioscience 5178
      Selective TRPA1 activator (EC50 values are ~0.5 muM in human, mouse and rat). Displays little or no affinity at more than 60 other related receptors, channels and enzymes. Stimulates 5-HT release from QGP-1 cells. Exhibits an abdominal analgesic effect in vivo. Orally bioavailable. Tocris Bioscience 5178
      Transient Receptor Potential Channels Tocris Bioscience 5178
      TRPA1 Tocris Bioscience 5178

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

Density: 1.4±0.1 g/cm3
Boiling Point: 368.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 176.4±27.9 °C
Index of Refraction: 1.628
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 193.1±3.0 cm3

Click to predict properties on the Chemicalize site


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