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[ CAS No. 18171-19-2 ] {[proInfo.proName]}

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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 18171-19-2
Chemical Structure| 18171-19-2
Structure of 18171-19-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 18171-19-2 ]

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Product Details of [ 18171-19-2 ]

CAS No. :18171-19-2 MDL No. :MFCD00053912
Formula : C6H15ClO2Si Boiling Point : -
Linear Structure Formula :- InChI Key :KNTKCYKJRSMRMZ-UHFFFAOYSA-N
M.W : 182.72 Pubchem ID :87491
Synonyms :

Calculated chemistry of [ 18171-19-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.79
TPSA : 18.46 ?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) : -5.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.58
Log Po/w (XLOGP3) : 2.02
Log Po/w (WLOGP) : 1.98
Log Po/w (MLOGP) : 0.96
Log Po/w (SILICOS-IT) : 0.33
Consensus Log Po/w : 1.57

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.92
Solubility : 2.22 mg/ml ; 0.0121 mol/l
Class : Very soluble
Log S (Ali) : -2.04
Solubility : 1.69 mg/ml ; 0.00923 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.46
Solubility : 0.638 mg/ml ; 0.00349 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.65

Safety of [ 18171-19-2 ]

Signal Word:Danger Class:3
Precautionary Statements:P261-P305+P351+P338 UN#:1993
Hazard Statements:H225-H315-H319-H335 Packing Group:
GHS Pictogram:
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