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[ CAS No. 62456-15-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 62456-15-9
Chemical Structure| 62456-15-9
Structure of 62456-15-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 62456-15-9 ]

CAS No. :62456-15-9 MDL No. :MFCD12913678
Formula : C8H15NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :FFKGMXGWLOPOAO-UHFFFAOYSA-N
M.W : 157.21 Pubchem ID :422580
Synonyms :

Calculated chemistry of [ 62456-15-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.88
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 42.45
TPSA : 52.32 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.97 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.94
Log Po/w (XLOGP3) : 0.41
Log Po/w (WLOGP) : 0.68
Log Po/w (MLOGP) : 0.69
Log Po/w (SILICOS-IT) : 0.65
Consensus Log Po/w : 0.87

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.94
Solubility : 18.0 mg/ml ; 0.115 mol/l
Class : Very soluble
Log S (Ali) : -1.08
Solubility : 13.2 mg/ml ; 0.0841 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.79
Solubility : 25.5 mg/ml ; 0.162 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.3

Safety of [ 62456-15-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
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