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[ CAS No. 63123-01-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 63123-01-3
Chemical Structure| 63123-01-3
Structure of 63123-01-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 63123-01-3 ]

CAS No. :63123-01-3 MDL No. :MFCD00149991
Formula : C8H24FNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 185.28 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 63123-01-3 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 50.15
TPSA : 18.46 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -10.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : -5.59
Log Po/w (XLOGP3) : -4.34
Log Po/w (WLOGP) : -1.24
Log Po/w (MLOGP) : -3.11
Log Po/w (SILICOS-IT) : -1.23
Consensus Log Po/w : -3.1

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 2.01
Solubility : 18900.0 mg/ml ; 102.0 mol/l
Class : Highly soluble
Log S (Ali) : 4.56
Solubility : 6800000.0 mg/ml ; 36700.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -3.07
Solubility : 0.159 mg/ml ; 0.000859 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 63123-01-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H312-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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