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[ CAS No. 995-82-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 995-82-4
Chemical Structure| 995-82-4
Structure of 995-82-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 995-82-4 ]

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Product Details of [ 995-82-4 ]

CAS No. :995-82-4 MDL No. :MFCD00513634
Formula : C12H38O5Si6 Boiling Point : No data available
Linear Structure Formula :- InChI Key :MEJKNMVFSMYBHE-UHFFFAOYSA-N
M.W : 430.94 Pubchem ID :6329090
Synonyms :

Calculated chemistry of [ 995-82-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 10
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 113.11
TPSA : 46.15 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 5.14
Log Po/w (XLOGP3) : 5.99
Log Po/w (WLOGP) : 3.84
Log Po/w (MLOGP) : -0.07
Log Po/w (SILICOS-IT) : -5.8
Consensus Log Po/w : 1.82

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.63
Solubility : 0.00102 mg/ml ; 0.00000237 mol/l
Class : Moderately soluble
Log S (Ali) : -6.74
Solubility : 0.0000791 mg/ml ; 0.000000184 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -3.75
Solubility : 0.077 mg/ml ; 0.000179 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.36

Safety of [ 995-82-4 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:
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