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[ CAS No. 86864-60-0 ] {[proInfo.proName]}

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Chemical Structure| 86864-60-0
Chemical Structure| 86864-60-0
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Product Details of [ 86864-60-0 ]

CAS No. :86864-60-0 MDL No. :MFCD00209550
Formula : C8H19BrOSi Boiling Point : -
Linear Structure Formula :- InChI Key :JBKINHFZTVLNEM-UHFFFAOYSA-N
M.W : 239.23 Pubchem ID :3608067
Synonyms :
Chemical Name :(2-Bromoethoxy)(tert-butyl)dimethylsilane

Calculated chemistry of [ 86864-60-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 57.39
TPSA : 9.23 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.19
Log Po/w (XLOGP3) : 3.62
Log Po/w (WLOGP) : 3.4
Log Po/w (MLOGP) : 2.69
Log Po/w (SILICOS-IT) : 1.22
Consensus Log Po/w : 2.82

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.34
Solubility : 0.109 mg/ml ; 0.000457 mol/l
Class : Soluble
Log S (Ali) : -3.5
Solubility : 0.0754 mg/ml ; 0.000315 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.38
Solubility : 0.1 mg/ml ; 0.000419 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.98

Safety of [ 86864-60-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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