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[ CAS No. 35138-22-8 ] {[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| 35138-22-8
Chemical Structure| 35138-22-8
Structure of 35138-22-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 35138-22-8 ]

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Product Details of [ 35138-22-8 ]

CAS No. :35138-22-8 MDL No. :MFCD00075045
Formula : C16H24BF4Rh Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 406.07 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 35138-22-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 0
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 85.2
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -2.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 9.1
Log Po/w (WLOGP) : 8.33
Log Po/w (MLOGP) : 5.17
Log Po/w (SILICOS-IT) : 2.28
Consensus Log Po/w : 4.98

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -8.09
Solubility : 0.0000033 mg/ml ; 0.0000000081 mol/l
Class : Poorly soluble
Log S (Ali) : -8.99
Solubility : 0.000000411 mg/ml ; 0.000000001 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -1.1
Solubility : 32.0 mg/ml ; 0.0789 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.35

Safety of [ 35138-22-8 ]

Signal Word:Danger Class:8,4.1
Precautionary Statements:P210-P240-P241-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P312-P363-P370+P378-P405-P501 UN#:2921
Hazard Statements:H228-H303-H314 Packing Group:
GHS Pictogram:
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