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[ CAS No. 84743-75-9 ] {[proInfo.proName]}

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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 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| 84743-75-9
Chemical Structure| 84743-75-9
Structure of 84743-75-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 84743-75-9 ]

CAS No. :84743-75-9 MDL No. :MFCD22056139
Formula : C6H4Br2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :SNZHHFHFCLIISK-UHFFFAOYSA-N
M.W : 283.90 Pubchem ID :14339091
Synonyms :

Calculated chemistry of [ 84743-75-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 47.91
TPSA : 60.69 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.4
Log Po/w (XLOGP3) : 3.32
Log Po/w (WLOGP) : 2.33
Log Po/w (MLOGP) : 1.72
Log Po/w (SILICOS-IT) : 1.79
Consensus Log Po/w : 2.11

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.1
Solubility : 0.0228 mg/ml ; 0.0000803 mol/l
Class : Moderately soluble
Log S (Ali) : -4.27
Solubility : 0.0152 mg/ml ; 0.0000536 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.37
Solubility : 1.2 mg/ml ; 0.00424 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.57

Safety of [ 84743-75-9 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P302+P352 UN#:2811
Hazard Statements:H302+H312-H331 Packing Group:
GHS Pictogram:
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