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[ CAS No. 2479-46-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2479-46-1
Chemical Structure| 2479-46-1
Structure of 2479-46-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 2479-46-1 ]

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Product Details of [ 2479-46-1 ]

CAS No. :2479-46-1 MDL No. :MFCD00039154
Formula : C18H16N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :WUPRYUDHUFLKFL-UHFFFAOYSA-N
M.W : 292.33 Pubchem ID :17201
Synonyms :

Calculated chemistry of [ 2479-46-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 88.28
TPSA : 70.5 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.03 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.7
Log Po/w (XLOGP3) : 2.89
Log Po/w (WLOGP) : 4.45
Log Po/w (MLOGP) : 3.04
Log Po/w (SILICOS-IT) : 2.68
Consensus Log Po/w : 3.15

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.81
Solubility : 0.0448 mg/ml ; 0.000153 mol/l
Class : Soluble
Log S (Ali) : -4.03
Solubility : 0.0272 mg/ml ; 0.0000932 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.19
Solubility : 0.00019 mg/ml ; 0.00000065 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.12

Safety of [ 2479-46-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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