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[ CAS No. 210302-17-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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| 210302-17-3
Chemical Structure| 210302-17-3
Structure of 210302-17-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 210302-17-3 ]

CAS No. :210302-17-3 MDL No. :MFCD00373912
Formula : C16H10F2N6O Boiling Point : -
Linear Structure Formula :- InChI Key :OEGJBRZAJRPPHL-UHFFFAOYSA-N
M.W : 340.29 Pubchem ID :565708
Synonyms :
Chemical Name :N5,N6-Bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

Calculated chemistry of [ 210302-17-3 ]

Physicochemical Properties

Num. heavy atoms : 25
Num. arom. heavy atoms : 21
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 7.0
Num. H-bond donors : 2.0
Molar Refractivity : 86.4
TPSA : 88.76 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.0
Log Po/w (XLOGP3) : 3.66
Log Po/w (WLOGP) : 4.62
Log Po/w (MLOGP) : 3.61
Log Po/w (SILICOS-IT) : 2.5
Consensus Log Po/w : 3.48

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.61
Solubility : 0.00829 mg/ml ; 0.0000244 mol/l
Class : Moderately soluble
Log S (Ali) : -5.21
Solubility : 0.00208 mg/ml ; 0.00000612 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -7.46
Solubility : 0.0000118 mg/ml ; 0.0000000347 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.23

Safety of [ 210302-17-3 ]

Signal Word:Danger Class:9
Precautionary Statements:P201-P264-P280-P301+P330+P331-P312 UN#:3077
Hazard Statements:H302-H361-H372-H410 Packing Group:
GHS Pictogram:
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