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[ CAS No. 1240583-48-5 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1240583-48-5
Chemical Structure| 1240583-48-5
Chemical Structure| 1240583-48-5
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Product Details of [ 1240583-48-5 ]

CAS No. :1240583-48-5 MDL No. :MFCD08685943
Formula : C15H22N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :DVOURBIBCQYVCC-CYBMUJFWSA-N
M.W : 262.35 Pubchem ID :40426957
Synonyms :

Calculated chemistry of [ 1240583-48-5 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.53
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 82.99
TPSA : 41.57 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.9
Log Po/w (XLOGP3) : 1.98
Log Po/w (WLOGP) : 1.48
Log Po/w (MLOGP) : 1.93
Log Po/w (SILICOS-IT) : 1.83
Consensus Log Po/w : 2.03

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.68
Solubility : 0.544 mg/ml ; 0.00207 mol/l
Class : Soluble
Log S (Ali) : -2.48
Solubility : 0.871 mg/ml ; 0.00332 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.57
Solubility : 0.0713 mg/ml ; 0.000272 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.61

Safety of [ 1240583-48-5 ]

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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