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[ CAS No. 164298-25-3 ] {[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| 164298-25-3
Chemical Structure| 164298-25-3
Structure of 164298-25-3 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 164298-25-3 ]

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Product Details of [ 164298-25-3 ]

CAS No. :164298-25-3 MDL No. :MFCD02683430
Formula : C9H16F7N2P Boiling Point : -
Linear Structure Formula :- InChI Key :MNJUGQKOHJQOCK-UHFFFAOYSA-N
M.W : 316.20 Pubchem ID :10935980
Synonyms :

Calculated chemistry of [ 164298-25-3 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 1
Num. H-bond acceptors : 7.0
Num. H-bond donors : 0.0
Molar Refractivity : 69.65
TPSA : 19.84 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.21
Log Po/w (WLOGP) : 6.78
Log Po/w (MLOGP) : 2.9
Log Po/w (SILICOS-IT) : 1.24
Consensus Log Po/w : 3.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.39
Solubility : 0.013 mg/ml ; 0.000041 mol/l
Class : Moderately soluble
Log S (Ali) : -4.34
Solubility : 0.0146 mg/ml ; 0.0000461 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -1.8
Solubility : 4.95 mg/ml ; 0.0157 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 4.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.2

Safety of [ 164298-25-3 ]

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