ChemSpider 2D Image | BQ-123 | C31H42N6O7

BQ-123

  • Molecular FormulaC31H42N6O7
  • Average mass610.701 Da
  • Monoisotopic mass610.311523 Da
  • ChemSpider ID25069753
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

136553-81-6 [RN]
BQ-123 [Wiki]
Cyclo(L-α-asparagyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl) [German] [ACD/IUPAC Name]
Cyclo(L-α-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-α-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl) [French] [ACD/Index Name] [ACD/IUPAC Name]
[136553-81-6]
d-Medetomidine hydrochloride |
GT9195500
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1188
      Endothelin Receptors Tocris Bioscience 1188
      Peptide Receptors Tocris Bioscience 1188
      Selective ETA antagonist Tocris Bioscience 1188
      Selective ETA endothelin receptor antagonist (Ki values are 1.4 and 1500 nM at ETA and ETB receptors respectively). Reduces ischemia-induced ventricular arrhythmias in a rat model. Tocris Bioscience 1188

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1053.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.6±3.0 kJ/mol
Flash Point: 591.0±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 458.2±5.0 cm3

Click to predict properties on the Chemicalize site





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