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[ CAS No. 476310-60-8 ] {[proInfo.proName]}

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Chemical Structure| 476310-60-8
Chemical Structure| 476310-60-8
Structure of 476310-60-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 476310-60-8 ]

CAS No. :476310-60-8 MDL No. :MFCD11045907
Formula : C12H11N2O9V Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 378.17 Pubchem ID :-
Synonyms :
VO-OHpic (hydrate)

Calculated chemistry of [ 476310-60-8 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 10.0
Num. H-bond donors : 3.0
Molar Refractivity : 66.33
TPSA : 175.92 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.91
Log Po/w (WLOGP) : 0.71
Log Po/w (MLOGP) : -3.32
Log Po/w (SILICOS-IT) : -2.54
Consensus Log Po/w : -0.85

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.11

Water Solubility

Log S (ESOL) : -3.13
Solubility : 0.282 mg/ml ; 0.000745 mol/l
Class : Soluble
Log S (Ali) : -4.19
Solubility : 0.0244 mg/ml ; 0.0000646 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -0.73
Solubility : 71.1 mg/ml ; 0.188 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.25

Safety of [ 476310-60-8 ]

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:
Same Skeleton Products
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