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[ CAS No. 256414-75-2 ] {[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| 256414-75-2
Chemical Structure| 256414-75-2
Structure of 256414-75-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 256414-75-2 ]

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Alternatived Products of [ 256414-75-2 ]

Product Details of [ 256414-75-2 ]

CAS No. :256414-75-2 MDL No. :MFCD00096600
Formula : C20H10F6N2OS Boiling Point : -
Linear Structure Formula :- InChI Key :OYMNPJXKQVTQTR-UHFFFAOYSA-N
M.W : 440.36 Pubchem ID :4077460
Synonyms :
SEW​2871

Calculated chemistry of [ 256414-75-2 ]

Physicochemical Properties

Num. heavy atoms : 30
Num. arom. heavy atoms : 22
Fraction Csp3 : 0.1
Num. rotatable bonds : 5
Num. H-bond acceptors : 9.0
Num. H-bond donors : 0.0
Molar Refractivity : 98.49
TPSA : 67.16 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.04
Log Po/w (XLOGP3) : 6.61
Log Po/w (WLOGP) : 9.47
Log Po/w (MLOGP) : 5.56
Log Po/w (SILICOS-IT) : 7.61
Consensus Log Po/w : 6.66

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.95
Solubility : 0.0000497 mg/ml ; 0.000000113 mol/l
Class : Poorly soluble
Log S (Ali) : -7.82
Solubility : 0.00000665 mg/ml ; 0.0000000151 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.34
Solubility : 0.000000199 mg/ml ; 0.0000000005 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.78

Safety of [ 256414-75-2 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P301+P310 UN#:2811
Hazard Statements:H300 Packing Group:
GHS Pictogram:
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