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[ CAS No. 14027-75-9 ] {[proInfo.proName]}

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Chemical Structure| 14027-75-9
Chemical Structure| 14027-75-9
Structure of 14027-75-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 14027-75-9 ]

CAS No. :14027-75-9 MDL No. :MFCD05864360
Formula : C7H4FNO4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :VIPUIECMSDQUIK-UHFFFAOYSA-N
M.W : 185.11 Pubchem ID :2759047
Synonyms :

Calculated chemistry of [ 14027-75-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 42.18
TPSA : 83.12 ?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) : -6.14 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.74
Log Po/w (XLOGP3) : 1.82
Log Po/w (WLOGP) : 1.85
Log Po/w (MLOGP) : 0.94
Log Po/w (SILICOS-IT) : -0.48
Consensus Log Po/w : 0.98

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.34
Solubility : 0.839 mg/ml ; 0.00453 mol/l
Class : Soluble
Log S (Ali) : -3.19
Solubility : 0.121 mg/ml ; 0.000653 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.43
Solubility : 6.85 mg/ml ; 0.037 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.8

Safety of [ 14027-75-9 ]

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

Application In Synthesis of [ 14027-75-9 ]

* 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 [ 14027-75-9 ]
  • Downstream synthetic route of [ 14027-75-9 ]

[ 14027-75-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 14027-75-9 ]
  • [ 884497-46-5 ]
Reference: [1] Patent: US2013/190249, 2013, A1,
[2] Patent: WO2013/107291, 2013, A1,
[3] Patent: WO2015/10626, 2015, A1,
[4] Patent: US2015/31627, 2015, A1,
[5] Patent: WO2015/10297, 2015, A1,
[6] Patent: US9242996, 2016, B2,
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