ChemSpider 2D Image | A1120 | C20H19F3N2O3

A1120

  • Molecular FormulaC20H19F3N2O3
  • Average mass392.372 Da
  • Monoisotopic mass392.134766 Da
  • ChemSpider ID25057503

More details:






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

2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid
2-[({4-[2-(Trifluormethyl)phenyl]-1-piperidinyl}carbonyl)amino]benzoesäure [German] [ACD/IUPAC Name]
2-[({4-[2-(Trifluoromethyl)phenyl]-1-piperidinyl}carbonyl)amino]benzoic acid [ACD/IUPAC Name]
A1120
Acide 2-[({4-[2-(trifluorométhyl)phényl]-1-pipéridinyl}carbonyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[4-[2-(trifluoromethyl)phenyl]-1-piperidinyl]carbonyl]amino]- [ACD/Index Name]
MFCD12912393
[1152782-19-8]
1152782-19-8 [RN]
2-({4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl}amino)benzoic acid
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      High affinity retinol-binding protein 4 (RBP4) ligand Tocris Bioscience 3793
      High affinity retinol-binding protein 4 (RBP4) ligand (Ki = 8.3 nM); non-retinoid. Selective against a range of different cellular targets. As efficacious as fenretinide (Cat. No. 1396) in the reducti on of serum RBP4 and retinol. Displaces transthyretin (TTR) from RBP4-TTR complexes. Tocris Bioscience 3793
      High affinity retinol-binding protein 4 (RBP4) ligand (Ki = 8.3 nM); non-retinoid. Selective against a range of different cellular targets. As efficacious as fenretinide (Cat. No. 1396) in the reduction of serum RBP4 and retinol. Displaces transthyretin (TTR) from RBP4-TTR complexes. Tocris Bioscience 3793
      Miscellaneous Compounds Tocris Bioscience 3793
      Other Pharmacology Tocris Bioscience 3793

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 299.9±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 99.91
ACD/KOC (pH 5.5): 322.31
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 13.87
Polar Surface Area: 70 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 286.3±3.0 cm3

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