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[ CAS No. 19943-16-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 19943-16-9
Chemical Structure| 19943-16-9
Structure of 19943-16-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 19943-16-9 ]

CAS No. :19943-16-9 MDL No. :MFCD00190694
Formula : C10H18N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :QGMAWEIDGADSAC-YUMQZZPRSA-N
M.W : 198.26 Pubchem ID :7075896
Synonyms :

Calculated chemistry of [ 19943-16-9 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 61.9
TPSA : 58.2 Ų

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) : -6.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.04
Log Po/w (XLOGP3) : 1.42
Log Po/w (WLOGP) : -0.48
Log Po/w (MLOGP) : 0.35
Log Po/w (SILICOS-IT) : 1.05
Consensus Log Po/w : 0.88

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.83
Solubility : 2.92 mg/ml ; 0.0147 mol/l
Class : Very soluble
Log S (Ali) : -2.25
Solubility : 1.12 mg/ml ; 0.00566 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.06
Solubility : 1.73 mg/ml ; 0.00871 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.34

Safety of [ 19943-16-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 19943-16-9 ]

* 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.

  • Downstream synthetic route of [ 19943-16-9 ]

[ 19943-16-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 3918-94-3 ]
  • [ 19943-16-9 ]
YieldReaction ConditionsOperation in experiment
72% With silica gel In gas at 190 - 210℃;
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