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Inhibitors/Agonists
Protein Tyrosine Kinase/PTK
GAK
5-Methyl-4-nitropyridin-2(1H)-one
Inhibitors/Agonists
Protein Tyrosine Kinase/PTK
Protein Tyrosine Kinase/RTK
GAK

[ CAS No. 1416354-34-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1416354-34-1
Chemical Structure| 1416354-34-1
Chemical Structure| 1416354-34-1
Structure of 1416354-34-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1416354-34-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
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Product Citations

Product Details of [ 1416354-34-1 ]

CAS No. :1416354-34-1 MDL No. :MFCD24394524
Formula : C6H6N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :KWBBCOFFLKQDJQ-UHFFFAOYSA-N
M.W : 154.12 Pubchem ID :70700920
Synonyms :

Calculated chemistry of [ 1416354-34-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.85
TPSA : 78.68 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.91
Log Po/w (XLOGP3) : -0.33
Log Po/w (WLOGP) : 0.59
Log Po/w (MLOGP) : -0.51
Log Po/w (SILICOS-IT) : -0.19
Consensus Log Po/w : 0.09

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.93
Solubility : 18.3 mg/ml ; 0.119 mol/l
Class : Very soluble
Log S (Ali) : -0.86
Solubility : 21.2 mg/ml ; 0.138 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.69
Solubility : 3.18 mg/ml ; 0.0207 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.9

Safety of [ 1416354-34-1 ]

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:

Tags: 1416354-34-1 synthesis path| 1416354-34-1 SDS| 1416354-34-1 COA| 1416354-34-1 purity| 1416354-34-1 application| 1416354-34-1 NMR| 1416354-34-1 COA| 1416354-34-1 structure

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Inhibitors/Agonists
Protein Tyrosine Kinase/PTK
GAK
Inhibitors/Agonists
Protein Tyrosine Kinase/RTK
GAK
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