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[ CAS No. 7399-00-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 7399-00-0
Chemical Structure| 7399-00-0
Structure of 7399-00-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 7399-00-0 ]

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Product Details of [ 7399-00-0 ]

CAS No. :7399-00-0 MDL No. :MFCD00039875
Formula : C24H52O3Si Boiling Point : No data available
Linear Structure Formula :- InChI Key :FZMJEGJVKFTGMU-UHFFFAOYSA-N
M.W : 416.75 Pubchem ID :81885
Synonyms :

Calculated chemistry of [ 7399-00-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 28
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 23
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 128.6
TPSA : 27.69 ?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) : -1.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 7.0
Log Po/w (XLOGP3) : 10.78
Log Po/w (WLOGP) : 8.3
Log Po/w (MLOGP) : 4.45
Log Po/w (SILICOS-IT) : 7.07
Consensus Log Po/w : 7.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -7.7
Solubility : 0.00000837 mg/ml ; 0.0000000201 mol/l
Class : Poorly soluble
Log S (Ali) : -11.32
Solubility : 0.000000002 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -8.76
Solubility : 0.000000729 mg/ml ; 0.0000000018 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.98

Safety of [ 7399-00-0 ]

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