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[ CAS No. 3388-04-3 ] {[proInfo.proName]}

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Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
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Chemical Structure| 3388-04-3
Chemical Structure| 3388-04-3
Structure of 3388-04-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 3388-04-3 ]

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Product Details of [ 3388-04-3 ]

CAS No. :3388-04-3 MDL No. :MFCD00014485
Formula : C11H22O4Si Boiling Point : -
Linear Structure Formula :- InChI Key :DQZNLOXENNXVAD-UHFFFAOYSA-N
M.W : 246.38 Pubchem ID :18819
Synonyms :

Calculated chemistry of [ 3388-04-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 62.97
TPSA : 40.22 ?2

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) : -6.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.17
Log Po/w (XLOGP3) : 1.88
Log Po/w (WLOGP) : 1.82
Log Po/w (MLOGP) : 0.08
Log Po/w (SILICOS-IT) : 0.46
Consensus Log Po/w : 1.48

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.16
Solubility : 1.72 mg/ml ; 0.00698 mol/l
Class : Soluble
Log S (Ali) : -2.35
Solubility : 1.11 mg/ml ; 0.0045 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.89
Solubility : 3.16 mg/ml ; 0.0128 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.67

Safety of [ 3388-04-3 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P261-P273-P280-P308+P313-P333+P313 UN#:2810
Hazard Statements:H317-H341-H350-H412 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 3388-04-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 3388-04-3 ]

[ 3388-04-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 106-86-5 ]
  • γ-methacryloxypropyltrichlorosilane [ No CAS ]
  • [ 2487-90-3 ]
  • [ 3388-04-3 ]
YieldReaction ConditionsOperation in experiment
90% chloroplatinic acid; EXAMPLE D The apparatus of Example B was charged with 148.8 g (1.2 mol) of 1-vinyl-3,4-epoxycyclohexane, 1.3 g of a carboxylic acid promoter, and 0.15 ml of 10% chloroplatinic acid catalyst solution. The flask contents were heated to 89 C. and dropwise addition of 122.8 g [1.0 mol) of trimethoxysilane was begun. The reaction temperature was controlled at 90-95 C. with an ice bath. Reaction was maintained at that temperature for half an hour after completion of addition, which took 18 minutes. Analysis by gas chromatography showed a yield of 90% of 2-(3,4-epoxycyclohexyl)ethyltrimethoxysilane. This example demonstrates a standard preparation of 2-(3,4-epoxycyclohexyl)ethyltrimethoxysilane using commercial chloroplatinic acid.
  • 2
  • [ 106-86-5 ]
  • [ 2487-90-3 ]
  • [ 3388-04-3 ]
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