erdafitinib C25H30N6O2 structure – Flashcards

Flashcard maker : Julie Noel

Molecular Formula C25H30N6O2
Average mass 446.545 Da
Density 1.2±0.1 g/cm3
Boiling Point 662.3±55.0 °C at 760 mmHg
Flash Point 354.4±31.5 °C
Molar Refractivity 129.6±0.5 cm3
Polarizability 51.4±0.5 10-24cm3
Surface Tension 43.3±7.0 dyne/cm
Molar Volume 369.7±7.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      10 mM in DMSO MedChem Express http://www.medchemexpress.com/IQ-R.html, HY-18708
      DMSO 54 mg/mL; Water <1 mg/mL MedChem Express HY-18708
  • Miscellaneous
    • Bio Activity:

      Erdafitinib is a quinoxaline derivative compound, acts on FGFR1/2/3/4 with mean pIC50 of ~ 9/8.5/8.5/8.25, respectively. MedChem Express http://www.medchemexpress.com/IQ-R.html, HY-18708
      Erdafitinib is a quinoxaline derivative compound, acts on FGFR1/2/3/4 with mean pIC50 of ~ 9/8.5/8.5/8.25, respectively. Refer to the compound 4 in the reference.;IC50 value: 9/8.5/8.5/8.25 (pIC50, for FGFR1/2/3/4);Target: FGFR MedChem Express HY-18708
      FGFR MedChem Express HY-18708
      Protein Tyrosine Kinase/RTK MedChem Express HY-18708
      Protein Tyrosine Kinase/RTK; MedChem Express HY-18708

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.4±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.72
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 20.89
Polar Surface Area: 77 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 369.7±7.0 cm3

Click to predict properties on the Chemicalize site

Get an explanation on any task
Get unstuck with the help of our AI assistant in seconds
New