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[ CAS No. 60144-53-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 60144-53-8
Chemical Structure| 60144-53-8
Structure of 60144-53-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 60144-53-8 ]

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Product Details of [ 60144-53-8 ]

CAS No. :60144-53-8 MDL No. :MFCD07127707
Formula : C11H14FNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :OJVWNENFSPSLRB-UHFFFAOYSA-N
M.W : 211.23 Pubchem ID :4935450
Synonyms :

Calculated chemistry of [ 60144-53-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.36
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 56.65
TPSA : 38.33 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.6
Log Po/w (XLOGP3) : 2.93
Log Po/w (WLOGP) : 3.4
Log Po/w (MLOGP) : 2.78
Log Po/w (SILICOS-IT) : 2.09
Consensus Log Po/w : 2.76

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.03
Solubility : 0.198 mg/ml ; 0.000939 mol/l
Class : Soluble
Log S (Ali) : -3.4
Solubility : 0.0848 mg/ml ; 0.000401 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.63
Solubility : 0.0491 mg/ml ; 0.000232 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.93

Safety of [ 60144-53-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 60144-53-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 60144-53-8 ]
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