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[ CAS No. 41153-30-4 ] {[proInfo.proName]}

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Chemical Structure| 41153-30-4
Chemical Structure| 41153-30-4
Structure of 41153-30-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 41153-30-4 ]

CAS No. :41153-30-4 MDL No. :MFCD00079672
Formula : C14H18FNO4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :RCXSXRAUMLKRRL-NSHDSACASA-N
M.W : 283.30 Pubchem ID :7020910
Synonyms :

Calculated chemistry of [ 41153-30-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.43
Num. rotatable bonds : 7
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 71.3
TPSA : 75.63 Ų

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) : -5.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.45
Log Po/w (XLOGP3) : 3.16
Log Po/w (WLOGP) : 2.77
Log Po/w (MLOGP) : 2.36
Log Po/w (SILICOS-IT) : 2.08
Consensus Log Po/w : 2.56

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.35
Solubility : 0.127 mg/ml ; 0.00045 mol/l
Class : Soluble
Log S (Ali) : -4.42
Solubility : 0.0108 mg/ml ; 0.0000381 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.45
Solubility : 0.1 mg/ml ; 0.000354 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.77

Safety of [ 41153-30-4 ]

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