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[ CAS No. 51851-37-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 51851-37-7
Chemical Structure| 51851-37-7
Structure of 51851-37-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 51851-37-7 ]

CAS No. :51851-37-7 MDL No. :MFCD00042333
Formula : C14H19F13O3Si Boiling Point : -
Linear Structure Formula :- InChI Key :AVYKQOAMZCAHRG-UHFFFAOYSA-N
M.W : 510.36 Pubchem ID :103991
Synonyms :

Calculated chemistry of [ 51851-37-7 ]

Physicochemical Properties

Num. heavy atoms : 31
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 14
Num. H-bond acceptors : 16.0
Num. H-bond donors : 0.0
Molar Refractivity : 81.43
TPSA : 27.69 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.74 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.54
Log Po/w (XLOGP3) : 6.58
Log Po/w (WLOGP) : 11.63
Log Po/w (MLOGP) : 3.7
Log Po/w (SILICOS-IT) : 5.27
Consensus Log Po/w : 6.34

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.23
Solubility : 0.000304 mg/ml ; 0.000000595 mol/l
Class : Poorly soluble
Log S (Ali) : -6.96
Solubility : 0.0000559 mg/ml ; 0.000000109 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -6.12
Solubility : 0.000384 mg/ml ; 0.000000753 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.72

Safety of [ 51851-37-7 ]

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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