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[ CAS No. 151838-62-9 ] {[proInfo.proName]}

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Chemical Structure| 151838-62-9
Chemical Structure| 151838-62-9
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Product Details of [ 151838-62-9 ]

CAS No. :151838-62-9 MDL No. :MFCD02060701
Formula : C15H19NO4 Boiling Point : -
Linear Structure Formula :C9H7NH4CO2CO2C4H8 InChI Key :-
M.W : 277.32 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 151838-62-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.47
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 78.2
TPSA : 66.84 ?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) : -6.38 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.43
Log Po/w (XLOGP3) : 2.27
Log Po/w (WLOGP) : 1.9
Log Po/w (MLOGP) : 1.83
Log Po/w (SILICOS-IT) : 1.47
Consensus Log Po/w : 1.98

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.95
Solubility : 0.313 mg/ml ; 0.00113 mol/l
Class : Soluble
Log S (Ali) : -3.31
Solubility : 0.136 mg/ml ; 0.000489 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.6
Solubility : 0.689 mg/ml ; 0.00248 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.88

Safety of [ 151838-62-9 ]

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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