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[ CAS No. 1432754-13-6 ] {[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 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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Quality Control of [ 1432754-13-6 ]

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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 :VNCDLPRFVBATOQ-UHFFFAOYSA-N
M.W : 274.06 Pubchem ID :97291496
Synonyms :

Calculated chemistry 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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