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[ CAS No. 5824-40-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 5824-40-8
Chemical Structure| 5824-40-8
Structure of 5824-40-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 5824-40-8 ]

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Product Details of [ 5824-40-8 ]

CAS No. :5824-40-8 MDL No. :MFCD00008047
Formula : C19H17N Boiling Point : -
Linear Structure Formula :- InChI Key :BZVJOYBTLHNRDW-UHFFFAOYSA-N
M.W : 259.35 Pubchem ID :138598
Synonyms :

Calculated chemistry of [ 5824-40-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.05
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 82.97
TPSA : 26.02 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.81
Log Po/w (XLOGP3) : 3.72
Log Po/w (WLOGP) : 3.83
Log Po/w (MLOGP) : 4.33
Log Po/w (SILICOS-IT) : 4.17
Consensus Log Po/w : 3.77

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.26
Solubility : 0.0143 mg/ml ; 0.000055 mol/l
Class : Moderately soluble
Log S (Ali) : -3.96
Solubility : 0.0286 mg/ml ; 0.00011 mol/l
Class : Soluble
Log S (SILICOS-IT) : -7.12
Solubility : 0.0000195 mg/ml ; 0.0000000752 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.89

Safety of [ 5824-40-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 5824-40-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 5824-40-8 ]

[ 5824-40-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 89-93-0 ]
  • [ 2620-50-0 ]
  • [ 6068-70-8 ]
  • [ 5824-40-8 ]
  • [ 33166-49-3 ]
  • [ 51586-20-0 ]
  • [ 100-81-2 ]
  • [ 108-44-1 ]
  • [ 618-36-0 ]
  • [ 95-68-1 ]
  • [ 87-62-7 ]
  • [ 88-05-1 ]
  • [ 95-53-4 ]
  • [ 91-00-9 ]
  • 2,2,2-triphenyl-<i>N</i>-<i>m</i>-tolyl-acetamide [ No CAS ]
  • 2,2,2-triphenyl-<i>N</i>-(1-phenyl-ethyl)-acetamide [ No CAS ]
  • 2,2,2-triphenyl-<i>N</i>-<i>o</i>-tolyl-acetamide [ No CAS ]
  • <i>N</i>-(3-methyl-benzyl)-2,2,2-triphenyl-acetamide [ No CAS ]
  • 3,3,3-triphenyl-<i>N</i>-<i>o</i>-tolyl-propionamide [ No CAS ]
  • 3,3,3-triphenyl-<i>N</i>-<i>m</i>-tolyl-propionamide [ No CAS ]
  • <i>N</i>-(2-methyl-benzyl)-2,2,2-triphenyl-acetamide [ No CAS ]
  • 3,3,3-triphenyl-<i>N</i>-(1-phenyl-ethyl)-propionamide [ No CAS ]
  • <i>N</i>-(2,6-dimethyl-phenyl)-2,2,2-triphenyl-acetamide [ No CAS ]
  • <i>N</i>-(2,4-dimethyl-phenyl)-2,2,2-triphenyl-acetamide [ No CAS ]
  • <i>N</i>-(2,3-dimethyl-benzyl)-2,2,2-triphenyl-acetamide [ No CAS ]
  • <i>N</i>-(3-methyl-benzyl)-3,3,3-triphenyl-propionamide [ No CAS ]
  • <i>N</i>-(2,4-dimethyl-phenyl)-3,3,3-triphenyl-propionamide [ No CAS ]
  • <i>N</i>-(2-methyl-benzyl)-3,3,3-triphenyl-propionamide [ No CAS ]
  • <i>N</i>-benzhydryl-2,2,2-triphenyl-acetamide [ No CAS ]
  • <i>N</i>-(2,6-dimethyl-phenyl)-3,3,3-triphenyl-propionamide [ No CAS ]
  • 2,2,2-triphenyl-<i>N</i>-(2,4,6-trimethyl-phenyl)-acetamide [ No CAS ]
  • <i>N</i>-(2,3-dimethyl-benzyl)-3,3,3-triphenyl-propionamide [ No CAS ]
  • <i>N</i>-benzo[1,3]dioxol-5-ylmethyl-2,2,2-triphenyl-acetamide [ No CAS ]
  • 3,3,3-triphenyl-<i>N</i>-(2,4,6-trimethyl-phenyl)-propionamide [ No CAS ]
  • <i>N</i>-benzhydryl-3,3,3-triphenyl-propionamide [ No CAS ]
  • <i>N</i>-benzo[1,3]dioxol-5-ylmethyl-3,3,3-triphenyl-propionamide [ No CAS ]
  • C39H31NO [ No CAS ]
  • N-triphenylmethyl-3,3',3''-triphenylpropanamide [ No CAS ]
  • 2
  • [ 41014-43-1 ]
  • [ 5824-40-8 ]
  • triphenylmethyl{N-(benzooxazolylmethyl)}amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 80℃; In single-port bottle by adding triphenyl methylamine (2.32g, 8 . 95mmol), 2-chloro-methyl and oxazoline (1.50g, 8 . 95mmol), potassium carbonate (1.36g, 9 . 85mmol), potassium iodide (297 mg, 1 . 79mmol) and 25mLN, after N-dimethyl formamide, for 80 C lower reaction sleepovers. Water quenching the reaction, ethyl acetate extraction, combined with the phase, drying, filtering, evaporating solvent under reduced pressure. Residual oil-shaped column chromatography (silica gel, petroleum ether: ethyl acetate = 20:1) obtaining white transparent oily separation and purification (2.60g, 75%).
  • 3
  • [ 103854-64-4 ]
  • [ 5824-40-8 ]
  • (8-methoxyquinolin-2-ylmethylene)tritylamine [ No CAS ]
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