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[ CAS No. 1432754-13-6 ]

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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
Excepted Quantity Free
Inaccessible (Haz class 6.1), Domestic USD 41.00
Inaccessible (Haz class 6.1), International USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 83.00
Accessible (Haz class 3, 4, 5 or 8), International USD 133.00
3d Animation Molecule Structure of 1432754-13-6
Chemical Structure| 1432754-13-6
Chemical Structure| 1432754-13-6
Structure of 1432754-13-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1432754-13-6 ]

CAS No. :1432754-13-6 MDL No. :MFCD24447536
Formula : C10H6BrF2NO Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :274.06 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 1432754-13-6 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.1
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 56.04
TPSA : 22.12 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.33
Log Po/w (XLOGP3) : 3.8
Log Po/w (WLOGP) : 4.44
Log Po/w (MLOGP) : 2.47
Log Po/w (SILICOS-IT) : 3.48
Consensus Log Po/w : 3.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.29
Solubility : 0.0139 mg/ml ; 0.0000508 mol/l
Class : Moderately soluble
Log S (Ali) : -3.96
Solubility : 0.0301 mg/ml ; 0.00011 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.9
Solubility : 0.00346 mg/ml ; 0.0000126 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.78

Safety of [ 1432754-13-6 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H300-H319 Packing Group:
GHS Pictogram:
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