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[ CAS No. 1256360-63-0 ] {[proInfo.proName]}

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Chemical Structure| 1256360-63-0
Chemical Structure| 1256360-63-0
Structure of 1256360-63-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1256360-63-0 ]

CAS No. :1256360-63-0 MDL No. :MFCD17015838
Formula : C15H24BNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :KUQCOTSTUVAICI-UHFFFAOYSA-N
M.W : 261.17 Pubchem ID :53217352
Synonyms :

Calculated chemistry of [ 1256360-63-0 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.6
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 81.84
TPSA : 30.49 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.69
Log Po/w (WLOGP) : 2.62
Log Po/w (MLOGP) : 1.92
Log Po/w (SILICOS-IT) : 2.12
Consensus Log Po/w : 2.07

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.82
Solubility : 0.0396 mg/ml ; 0.000151 mol/l
Class : Soluble
Log S (Ali) : -4.02
Solubility : 0.0249 mg/ml ; 0.0000954 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.87
Solubility : 0.00349 mg/ml ; 0.0000134 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.96

Safety of [ 1256360-63-0 ]

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:
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