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[ CAS No. 924473-59-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 924473-59-6
Chemical Structure| 924473-59-6
Structure of 924473-59-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 924473-59-6 ]

CAS No. :924473-59-6 MDL No. :MFCD08495674
Formula : C19H14F3N3O3 Boiling Point : -
Linear Structure Formula :- InChI Key :XVOKFRPKSAWELK-UHFFFAOYSA-N
M.W : 389.33 Pubchem ID :9438169
Synonyms :
T 5601640;T56-LIM Kinase Inhibito

Calculated chemistry of [ 924473-59-6 ]

Physicochemical Properties

Num. heavy atoms : 28
Num. arom. heavy atoms : 17
Fraction Csp3 : 0.11
Num. rotatable bonds : 7
Num. H-bond acceptors : 7.0
Num. H-bond donors : 2.0
Molar Refractivity : 94.9
TPSA : 84.23 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.08 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.13
Log Po/w (XLOGP3) : 3.66
Log Po/w (WLOGP) : 5.28
Log Po/w (MLOGP) : 2.56
Log Po/w (SILICOS-IT) : 3.73
Consensus Log Po/w : 3.67

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.55
Solubility : 0.0111 mg/ml ; 0.0000284 mol/l
Class : Moderately soluble
Log S (Ali) : -5.12
Solubility : 0.00297 mg/ml ; 0.00000762 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -7.48
Solubility : 0.000013 mg/ml ; 0.0000000333 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.89

Safety of [ 924473-59-6 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P301+P310 UN#:2811
Hazard Statements:H301-H413 Packing Group:
GHS Pictogram:
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