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[ CAS No. 6843-66-9 ] {[proInfo.proName]}

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Chemical Structure| 6843-66-9
Chemical Structure| 6843-66-9
Structure of 6843-66-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 6843-66-9 ]

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Product Details of [ 6843-66-9 ]

CAS No. :6843-66-9 MDL No. :MFCD00025690
Formula : C14H16O2Si Boiling Point : -
Linear Structure Formula :(C6H5)2Si(OCH3)2 InChI Key :AHUXYBVKTIBBJW-UHFFFAOYSA-N
M.W : 244.36 Pubchem ID :81284
Synonyms :

Calculated chemistry of [ 6843-66-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.14
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 71.8
TPSA : 18.46 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.09
Log Po/w (XLOGP3) : 3.67
Log Po/w (WLOGP) : 1.54
Log Po/w (MLOGP) : 2.41
Log Po/w (SILICOS-IT) : 1.8
Consensus Log Po/w : 2.5

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.93
Solubility : 0.029 mg/ml ; 0.000119 mol/l
Class : Soluble
Log S (Ali) : -3.75
Solubility : 0.0437 mg/ml ; 0.000179 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.28
Solubility : 0.00128 mg/ml ; 0.00000525 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.08

Safety of [ 6843-66-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280 UN#:N/A
Hazard Statements:H315 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 6843-66-9 ]

* 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 [ 6843-66-9 ]

[ 6843-66-9 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 186581-53-3 ]
  • [ 947-42-2 ]
  • [ 6843-66-9 ]
  • 2
  • [ 67-56-1 ]
  • [ 80-10-4 ]
  • [ 6843-66-9 ]
YieldReaction ConditionsOperation in experiment
78.3% In diethyl ether; at 40℃; for 3.5h;Inert atmosphere; General procedure: Add petroleum ether as a solvent in a three-necked flask, first add 1 mol of diphenyldichlorosilane, mix well, pass1.5 mol of methanol and 0.3 mol of sodium methoxide were added to the flask under nitrogen atmosphere to maintain the environment, and the reaction was carried out at 40 C.After the GC monitors the consumption of diphenyldichlorosilane by about 40%, 0.3 mol of sodium methoxide is added to the reaction system to continue the reaction.The reaction was carried out for about 3.5 hours. After the reaction is completed, the reaction product is collected, filtered, and subjected to atmospheric distillation to obtain an alcoholysis product diphenyl.Dimethoxysilane, the yield was 93.77
  • 3
  • [ 67-56-1 ]
  • [ 40391-85-3 ]
  • [ 6843-66-9 ]
  • 4
  • [ 67-56-1 ]
  • [ 775-12-2 ]
  • [ 6843-66-9 ]
YieldReaction ConditionsOperation in experiment
99% With potassium hexamethylsilazane; In neat liquid; at 30℃; for 2h;Schlenk technique; Inert atmosphere; General procedure: Catalyzed CDC reactions were carried out using the following standard protocol. In the glove box, the chosen pre-catalyst (0.05 mmol) was loaded into a Schlenk tube, and subsequently the alcohol (n x 0.05 mmol, n equiv.) followed by silane (n' x 0 0.05 mmol, n' equiv.) were added. The reaction mixture was stirred at the desired temperature (30C), which was controlled by an oil bath. After the required period, the reaction was quenched by adding CDCl3 to the mixture. Substrate conversion was monitored by examination of the 1H NMR spectrum of the reaction mixture and comparing relative intensities of resonance characteristics of the substrates and products.
  • 6
  • [ 102-71-6 ]
  • [ 6843-66-9 ]
  • 1-phenyl-2,8,9-trioxa-5-aza-1-silatricyclo<3.3.3.01.5>undecane(phenylsilatrane) [ No CAS ]
  • 7
  • [ 14002-33-6 ]
  • [ 6843-66-9 ]
  • trans-1-phenyl-2,10-dioxa-6-aza-1-silabicyclo<4.4.01.6>decane [ No CAS ]
  • cis-1-phenyl-2,10-dioxa-6-aza-1-silabicyclo<4.4.01.6>decane [ No CAS ]
  • 8
  • [ 6843-66-9 ]
  • [ 84521-19-7 ]
  • [ 85-44-9 ]
  • [ 4436-49-1 ]
  • [ 84521-20-0 ]
  • 9
  • [ 6843-66-9 ]
  • N-(3-piperidinopropyl)-diethanolamine [ No CAS ]
  • 2,2-Diphenyl-6-(3-piperidin-1-yl-propyl)-[1,3,6,2]dioxazasilocane [ No CAS ]
  • 10
  • [ 6843-66-9 ]
  • [ 111-42-2 ]
  • [ 66583-26-4 ]
  • 11
  • [ 6843-66-9 ]
  • [ 57-50-1 ]
  • 1',2-O-(diphenylsilylene)sucrose [ No CAS ]
  • 1',2:6,6'-di-O-(diphenylsilylene)sucrose [ No CAS ]
  • 12
  • [ 6843-66-9 ]
  • [ 931-51-1 ]
  • cyclohexyldiphenylsilane [ No CAS ]
  • 13
  • [ 6843-66-9 ]
  • [ 677-22-5 ]
  • [ 33729-92-9 ]
  • 15
  • [ 533-75-5 ]
  • [ 6843-66-9 ]
  • C26H20O4Si [ No CAS ]
  • 16
  • [ 6843-66-9 ]
  • [ 88419-38-9 ]
  • 6,6-diphenyl-5,7-dioxa-6-sila-1-azabicyclo[7.1.0]decane [ No CAS ]
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