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[ CAS No. 15966-93-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 15966-93-5
Chemical Structure| 15966-93-5
Structure of 15966-93-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 15966-93-5 ]

CAS No. :15966-93-5 MDL No. :MFCD04974538
Formula : C18H18N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :PMUJUSJUVIXDQC-LCYFTJDESA-N
M.W : 310.35 Pubchem ID :6419834
Synonyms :
VEGFR2 Kinase Inhibitor I

Calculated chemistry of [ 15966-93-5 ]

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.22
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 92.51
TPSA : 71.19 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.87
Log Po/w (XLOGP3) : 2.71
Log Po/w (WLOGP) : 2.62
Log Po/w (MLOGP) : 2.01
Log Po/w (SILICOS-IT) : 4.28
Consensus Log Po/w : 2.9

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.56
Solubility : 0.0852 mg/ml ; 0.000275 mol/l
Class : Soluble
Log S (Ali) : -3.86
Solubility : 0.043 mg/ml ; 0.000139 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.89
Solubility : 0.000404 mg/ml ; 0.0000013 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.0

Safety of [ 15966-93-5 ]

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

Application In Synthesis of [ 15966-93-5 ]

* 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 [ 15966-93-5 ]
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