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[ CAS No. 56602-33-6 ] {[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| 56602-33-6
Chemical Structure| 56602-33-6
Structure of 56602-33-6 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 56602-33-6 ]

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Alternatived Products of [ 56602-33-6 ]

Product Details of [ 56602-33-6 ]

CAS No. :56602-33-6 MDL No. :MFCD00011948
Formula : C12H22F6N6OP2 Boiling Point : -
Linear Structure Formula :- InChI Key :MGEVGECQZUIPSV-UHFFFAOYSA-N
M.W : 442.28 Pubchem ID :151348
Synonyms :

Calculated chemistry of [ 56602-33-6 ]

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 5
Num. H-bond acceptors : 12.0
Num. H-bond donors : 0.0
Molar Refractivity : 95.3
TPSA : 76.84 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) : -5.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 5.37
Log Po/w (WLOGP) : 7.13
Log Po/w (MLOGP) : 2.64
Log Po/w (SILICOS-IT) : -2.1
Consensus Log Po/w : 2.61

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -5.88
Solubility : 0.00058 mg/ml ; 0.00000131 mol/l
Class : Moderately soluble
Log S (Ali) : -6.74
Solubility : 0.000081 mg/ml ; 0.000000183 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -1.89
Solubility : 5.68 mg/ml ; 0.0129 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.32

Safety of [ 56602-33-6 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P210-P240-P241-P261-P264-P271-P280-P302+P352-P304+P340+P312-P332+P313-P370+P378-P403+P233-P405-P501 UN#:1325
Hazard Statements:H228-H315-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 56602-33-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 56602-33-6 ]
  • Downstream synthetic route of [ 56602-33-6 ]

[ 56602-33-6 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 680-31-9 ]
  • [ 56602-33-6 ]
Reference: [1] Phosphorus, Sulfur and Silicon and the Related Elements, 2003, vol. 178, # 2, p. 299 - 309
  • 2
  • [ 2592-95-2 ]
  • [ 56602-33-6 ]
Reference: [1] Phosphorus, Sulfur and Silicon and the Related Elements, 2003, vol. 178, # 2, p. 299 - 309
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