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[ CAS No. 106930-51-2 ] {[proInfo.proName]}

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Chemical Structure| 106930-51-2
Chemical Structure| 106930-51-2
Structure of 106930-51-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 106930-51-2 ]

CAS No. :106930-51-2 MDL No. :MFCD00235931
Formula : C11H23NO3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :-
M.W : 217.31 Pubchem ID :-
Synonyms :
Chemical Name :Boc-D-Leucinol

Calculated chemistry of [ 106930-51-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.91
Num. rotatable bonds : 7
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 60.67
TPSA : 58.56 ?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) : -6.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.77
Log Po/w (XLOGP3) : 2.0
Log Po/w (WLOGP) : 1.92
Log Po/w (MLOGP) : 1.55
Log Po/w (SILICOS-IT) : 1.29
Consensus Log Po/w : 1.9

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.99
Solubility : 2.25 mg/ml ; 0.0103 mol/l
Class : Very soluble
Log S (Ali) : -2.86
Solubility : 0.302 mg/ml ; 0.00139 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.95
Solubility : 2.47 mg/ml ; 0.0114 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.82

Safety of [ 106930-51-2 ]

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