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[ CAS No. 2708281-64-3 ] {[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+
3d Animation Molecule Structure of 2708281-64-3
Chemical Structure| 2708281-64-3
Chemical Structure| 2708281-64-3
Structure of 2708281-64-3 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 2708281-64-3 ]

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Product Details of [ 2708281-64-3 ]

CAS No. :2708281-64-3 MDL No. :N/A
Formula : C10H7F3N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 212.17 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 2708281-64-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.1
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 51.15
TPSA : 38.91 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.51
Log Po/w (XLOGP3) : 2.31
Log Po/w (WLOGP) : 4.0
Log Po/w (MLOGP) : 1.92
Log Po/w (SILICOS-IT) : 2.68
Consensus Log Po/w : 2.48

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.04
Solubility : 0.194 mg/ml ; 0.000916 mol/l
Class : Soluble
Log S (Ali) : -2.77
Solubility : 0.364 mg/ml ; 0.00172 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.24
Solubility : 0.0124 mg/ml ; 0.0000582 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.54

Safety of [ 2708281-64-3 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P262-P280-P301+P310-P304+P340-P305+P351+P338-P310-P330 UN#:2811
Hazard Statements:H301 Packing Group:
GHS Pictogram:
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