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[ CAS No. 178439-26-4 ] {[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| 178439-26-4
Chemical Structure| 178439-26-4
Structure of 178439-26-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 178439-26-4 ]

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Alternatived Products of [ 178439-26-4 ]

Product Details of [ 178439-26-4 ]

CAS No. :178439-26-4 MDL No. :MFCD01073546
Formula : C10H8B2F10N2 Boiling Point : -
Linear Structure Formula :- InChI Key :IDFABAACDRPWQX-UHFFFAOYSA-N
M.W : 367.79 Pubchem ID :2733931
Synonyms :

Calculated chemistry of [ 178439-26-4 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 10.0
Num. H-bond donors : 0.0
Molar Refractivity : 69.92
TPSA : 7.76 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.4 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 7.25
Log Po/w (WLOGP) : 8.2
Log Po/w (MLOGP) : 2.81
Log Po/w (SILICOS-IT) : 1.65
Consensus Log Po/w : 3.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.99
Solubility : 0.0000375 mg/ml ; 0.000000102 mol/l
Class : Poorly soluble
Log S (Ali) : -7.24
Solubility : 0.0000213 mg/ml ; 0.0000000579 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -3.09
Solubility : 0.3 mg/ml ; 0.000817 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.66

Safety of [ 178439-26-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:
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