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[ CAS No. 192927-69-8 ]

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3d Animation Molecule Structure of 192927-69-8
Chemical Structure| 192927-69-8
Chemical Structure| 192927-69-8
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Product Details of [ 192927-69-8 ]

CAS No. :192927-69-8 MDL No. :MFCD12405741
Formula : C7H4F2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :NDEDPHKYSOYQOY-UHFFFAOYSA-N
M.W :158.10 g/mol Pubchem ID :593909
Synonyms :

Calculated chemistry of [ 192927-69-8 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 33.77
TPSA : 37.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.21
Log Po/w (XLOGP3) : 1.23
Log Po/w (WLOGP) : 2.32
Log Po/w (MLOGP) : 1.66
Log Po/w (SILICOS-IT) : 2.35
Consensus Log Po/w : 1.75

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.93
Solubility : 1.85 mg/ml ; 0.0117 mol/l
Class : Very soluble
Log S (Ali) : -1.61
Solubility : 3.87 mg/ml ; 0.0245 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.32
Solubility : 0.764 mg/ml ; 0.00483 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.18

Safety of [ 192927-69-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 192927-69-8 ]

* 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.

  • Upstream synthesis route of [ 192927-69-8 ]
  • Downstream synthetic route of [ 192927-69-8 ]

[ 192927-69-8 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 28177-48-2 ]
  • [ 192927-69-8 ]
Reference: [1] South African Journal of Chemistry, 1997, vol. 50, # 1, p. 40 - 47
  • 2
  • [ 192927-68-7 ]
  • [ 192927-69-8 ]
Reference: [1] South African Journal of Chemistry, 1997, vol. 50, # 1, p. 40 - 47
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