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[ CAS No. 83048-65-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 83048-65-1
Chemical Structure| 83048-65-1
Structure of 83048-65-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 83048-65-1 ]

CAS No. :83048-65-1 MDL No. :MFCD07368748
Formula : C13H13F17O3Si Boiling Point : No data available
Linear Structure Formula :- InChI Key :HJIMAFKWSKZMBK-UHFFFAOYSA-N
M.W : 568.30 Pubchem ID :2782918
Synonyms :

Calculated chemistry of [ 83048-65-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 34
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 13
Num. H-bond acceptors : 20.0
Num. H-bond donors : 0.0
Molar Refractivity : 76.9
TPSA : 27.69 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.51
Log Po/w (XLOGP3) : 6.83
Log Po/w (WLOGP) : 13.41
Log Po/w (MLOGP) : 3.92
Log Po/w (SILICOS-IT) : 5.63
Consensus Log Po/w : 6.86

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.81
Solubility : 0.0000884 mg/ml ; 0.000000155 mol/l
Class : Poorly soluble
Log S (Ali) : -7.22
Solubility : 0.0000342 mg/ml ; 0.0000000602 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -6.05
Solubility : 0.000503 mg/ml ; 0.000000885 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.47

Safety of [ 83048-65-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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