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[ CAS No. 186088-50-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 186088-50-6
Chemical Structure| 186088-50-6
Structure of 186088-50-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 186088-50-6 ]

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Product Details of [ 186088-50-6 ]

CAS No. :186088-50-6 MDL No. :MFCD03093297
Formula : C9H14F6NP Boiling Point : No data available
Linear Structure Formula :- InChI Key :CTMFVASPBJWPFC-UHFFFAOYSA-N
M.W : 281.18 Pubchem ID :2734176
Synonyms :

Calculated chemistry of [ 186088-50-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.44
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 58.02
TPSA : 17.47 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.44
Log Po/w (WLOGP) : 7.68
Log Po/w (MLOGP) : 2.67
Log Po/w (SILICOS-IT) : 1.97
Consensus Log Po/w : 2.38

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.37
Solubility : 12.0 mg/ml ; 0.0427 mol/l
Class : Very soluble
Log S (Ali) : 0.54
Solubility : 972.0 mg/ml ; 3.46 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -2.77
Solubility : 0.474 mg/ml ; 0.00169 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.36

Safety of [ 186088-50-6 ]

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