ChemSpider 2D Image | CVT 10216 | C24H19NO7S

CVT 10216

  • Molecular FormulaC24H19NO7S
  • Average mass465.475 Da
  • Monoisotopic mass465.088226 Da
  • ChemSpider ID32699566

More details:

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

1005334-57-5 [RN]
3-(((3-(4-(Methylsulfonamido)phenyl)-4-oxo-4H-chromen-7-yl)oxy)methyl)benzoic acid
3-({[3-(4-METHANESULFONAMIDOPHENYL)-4-OXO-4H-CHROMEN-7-YL]OXY}METHYL)BENZOIC ACID
3-({[3-(4-METHANESULFONAMIDOPHENYL)-4-OXOCHROMEN-7-YL]OXY}METHYL)BENZOIC ACID
3-[[[3-[4-[(methylsulfonyl)amino]phenyl]-4-oxo-4H-1-benzopyran-7-yl]oxy]methyl]-benzoic acid
3-[[[3-[4-[(Methylsulfonyl)amino]phenyl]-4-oxo-4H-chromen-7-yl]oxy]methyl]benzoic acid
3-{[(3-{4-[(Methylsulfonyl)amino]phenyl}-4-oxo-4H-chromen-7-yl)oxy]methyl}benzoesäure [German] [ACD/IUPAC Name]
3-{[(3-{4-[(Methylsulfonyl)amino]phenyl}-4-oxo-4H-chromen-7-yl)oxy]methyl}benzoic acid [ACD/IUPAC Name]
Acide 3-{[(3-{4-[(méthylsulfonyl)amino]phényl}-4-oxo-4H-chromén-7-yl)oxy]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[3-[4-[(methylsulfonyl)amino]phenyl]-4-oxo-4H-1-benzopyran-7-yl]oxy]methyl]- [ACD/Index Name]
More...

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

F9H432757X [DBID]
UNII:F9H432757X [DBID]
UNII-F9H432757X [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Aldehyde Dehydrogenase Tocris Bioscience 5164
      Dehydrogenases Tocris Bioscience 5164
      Enzymes Tocris Bioscience 5164
      Potent and selective ALDH2 inhibitor Tocris Bioscience 5164
      Potent and selective, reversible inhibitor of aldehyde dehydrogenase 2 (ALDH2) (IC50 values are 29 and 1300 nM for ALDH2 and ALDH1, respectively). Exhibits anxiolytic effects in rat models. Tocris Bioscience 5164

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

Density: 1.5±0.1 g/cm3
Boiling Point: 714.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.8±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 22.22
ACD/KOC (pH 5.5): 129.57
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.36
Polar Surface Area: 127 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 317.0±3.0 cm3

Click to predict properties on the Chemicalize site


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