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[ CAS No. 143314-17-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 143314-17-4
Chemical Structure| 143314-17-4
Structure of 143314-17-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 143314-17-4 ]

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Product Details of [ 143314-17-4 ]

CAS No. :143314-17-4 MDL No. :MFCD06798186
Formula : C8H14N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :XIYUIMLQTKODPS-UHFFFAOYSA-M
M.W : 170.21 Pubchem ID :11658353
Synonyms :

Calculated chemistry of [ 143314-17-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.65
TPSA : 48.94 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : -2.44
Log Po/w (XLOGP3) : 0.23
Log Po/w (WLOGP) : -0.91
Log Po/w (MLOGP) : -0.01
Log Po/w (SILICOS-IT) : 0.26
Consensus Log Po/w : -0.57

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.28
Solubility : 8.88 mg/ml ; 0.0522 mol/l
Class : Very soluble
Log S (Ali) : -0.82
Solubility : 25.9 mg/ml ; 0.152 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.71
Solubility : 33.5 mg/ml ; 0.197 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.43

Safety of [ 143314-17-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 143314-17-4 ]

* 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 [ 143314-17-4 ]

[ 143314-17-4 ] Synthesis Path-Downstream   1~8

  • 1
  • C6H11N2(1+)*0.5C2H3O2(1-)*0.5C2F6NO4S2(1-) [ No CAS ]
  • [ 143314-17-4 ]
  • [ 174899-82-2 ]
  • 2
  • [ 143314-17-4 ]
  • [ 174899-82-2 ]
  • C6H11N2(1+)*0.2C2H3O2(1-)*0.8C2F6NO4S2(1-) [ No CAS ]
  • 3
  • [ 143314-17-4 ]
  • [ 174899-82-2 ]
  • C6H11N2(1+)*0.33C2H3O2(1-)*0.67C2F6NO4S2(1-) [ No CAS ]
  • 4
  • [ 143314-17-4 ]
  • [ 174899-82-2 ]
  • C6H11N2(1+)*0.5C2H3O2(1-)*0.5C2F6NO4S2(1-) [ No CAS ]
  • 5
  • [ 143314-17-4 ]
  • [ 174899-82-2 ]
  • C6H11N2(1+)*0.67C2H3O2(1-)*0.33C2F6NO4S2(1-) [ No CAS ]
  • 6
  • [ 143314-17-4 ]
  • [ 174899-82-2 ]
  • C6H11N2(1+)*0.8C2H3O2(1-)*0.2C2F6NO4S2(1-) [ No CAS ]
  • 7
  • [ 143314-17-4 ]
  • [ 174899-82-2 ]
  • C6H11N2(1+)*0.9C2H3O2(1-)*0.1C2F6NO4S2(1-) [ No CAS ]
  • 8
  • [ 143314-17-4 ]
  • [ 174899-82-2 ]
  • C6H11N2(1+)*0.1C2H3O2(1-)*0.9C2F6NO4S2(1-) [ No CAS ]
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