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[ CAS No. 156311-85-2 ] {[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| 156311-85-2
Chemical Structure| 156311-85-2
Structure of 156311-85-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 156311-85-2 ]

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Alternatived Products of [ 156311-85-2 ]

Product Details of [ 156311-85-2 ]

CAS No. :156311-85-2 MDL No. :MFCD09263289
Formula : C11H21F6N7OP2 Boiling Point : -
Linear Structure Formula :- InChI Key :RQBNNDQCKMIUQJ-UHFFFAOYSA-N
M.W : 443.27 Pubchem ID :21894514
Synonyms :

Calculated chemistry of [ 156311-85-2 ]

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.55
Num. rotatable bonds : 5
Num. H-bond acceptors : 13.0
Num. H-bond donors : 0.0
Molar Refractivity : 93.09
TPSA : 89.73 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.61
Log Po/w (WLOGP) : 6.52
Log Po/w (MLOGP) : 2.01
Log Po/w (SILICOS-IT) : -2.62
Consensus Log Po/w : 2.1

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.41
Solubility : 0.00173 mg/ml ; 0.0000039 mol/l
Class : Moderately soluble
Log S (Ali) : -6.22
Solubility : 0.000268 mg/ml ; 0.000000603 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -1.52
Solubility : 13.4 mg/ml ; 0.0303 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.08

Safety of [ 156311-85-2 ]

Signal Word:Danger Class:9
Precautionary Statements:P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310 UN#:3077
Hazard Statements:H302+H312-H315-H318-H411 Packing Group:
GHS Pictogram:
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