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[ CAS No. 6792-31-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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| 6792-31-0
Chemical Structure| 6792-31-0
Structure of 6792-31-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 6792-31-0 ]

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Product Details of [ 6792-31-0 ]

CAS No. :6792-31-0 MDL No. :MFCD00043821
Formula : C9F18 Boiling Point : -
Linear Structure Formula :- InChI Key :VJRSWIKVCUMTFK-UHFFFAOYSA-N
M.W : 450.07 Pubchem ID :16212380
Synonyms :

Calculated chemistry of [ 6792-31-0 ]

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.33
Num. rotatable bonds : 3
Num. H-bond acceptors : 18.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.21
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.33
Log Po/w (XLOGP3) : 5.72
Log Po/w (WLOGP) : 15.44
Log Po/w (MLOGP) : 5.66
Log Po/w (SILICOS-IT) : 2.57
Consensus Log Po/w : 6.54

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.04
Solubility : 0.000414 mg/ml ; 0.00000092 mol/l
Class : Poorly soluble
Log S (Ali) : -5.49
Solubility : 0.00147 mg/ml ; 0.00000326 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -1.68
Solubility : 9.51 mg/ml ; 0.0211 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.27

Safety of [ 6792-31-0 ]

Signal Word:Danger Class:3
Precautionary Statements:P261-P280-P305+P351+P338 UN#:1993
Hazard Statements:H225-H302-H312-H315-H319-H332-H335 Packing Group:
GHS Pictogram:
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