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[ CAS No. 364047-51-8 ] {[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| 364047-51-8
Chemical Structure| 364047-51-8
Structure of 364047-51-8 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 364047-51-8 ]

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Alternatived Products of [ 364047-51-8 ]

Product Details of [ 364047-51-8 ]

CAS No. :364047-51-8 MDL No. :MFCD07366926
Formula : C10H16F6N3O2P Boiling Point : -
Linear Structure Formula :- InChI Key :OVOWPFZLWCWFQE-UHFFFAOYSA-N
M.W : 355.22 Pubchem ID :44514361
Synonyms :

Calculated chemistry of [ 364047-51-8 ]

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 3
Num. H-bond acceptors : 8.0
Num. H-bond donors : 0.0
Molar Refractivity : 71.41
TPSA : 51.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.8
Log Po/w (WLOGP) : 5.37
Log Po/w (MLOGP) : 2.39
Log Po/w (SILICOS-IT) : -1.14
Consensus Log Po/w : 2.08

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.44
Solubility : 0.0129 mg/ml ; 0.0000363 mol/l
Class : Moderately soluble
Log S (Ali) : -4.57
Solubility : 0.00963 mg/ml ; 0.0000271 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -1.84
Solubility : 5.18 mg/ml ; 0.0146 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 4.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.46

Safety of [ 364047-51-8 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 UN#:1759
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 364047-51-8 ]

* 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.

  • Downstream synthetic route of [ 364047-51-8 ]

[ 364047-51-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 822-89-9 ]
  • N,N,N',N'-tetramethylchloroformamidinium hexafluorophosphate [ No CAS ]
  • [ 364047-51-8 ]
YieldReaction ConditionsOperation in experiment
82% In acetonitrile at 0 - 20℃;
  • 2
  • [ 632-22-4 ]
  • [ 364047-51-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: oxalyl dichloride 2: PF6 3: acetonitrile / 0 - 20 °C
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