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[ CAS No. 19437-26-4 ] {[proInfo.proName]}

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Chemical Structure| 19437-26-4
Chemical Structure| 19437-26-4
Structure of 19437-26-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 19437-26-4 ]

CAS No. :19437-26-4 MDL No. :MFCD00006288
Formula : C11H8N2O Boiling Point : -
Linear Structure Formula :CO(NC5H4)2 InChI Key :QPOWUYJWCJRLEE-UHFFFAOYSA-N
M.W : 184.19 Pubchem ID :88065
Synonyms :

Calculated chemistry of [ 19437-26-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 51.91
TPSA : 42.85 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.15 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.54
Log Po/w (XLOGP3) : 1.79
Log Po/w (WLOGP) : 1.71
Log Po/w (MLOGP) : 0.24
Log Po/w (SILICOS-IT) : 2.35
Consensus Log Po/w : 1.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.61
Solubility : 0.45 mg/ml ; 0.00244 mol/l
Class : Soluble
Log S (Ali) : -2.31
Solubility : 0.905 mg/ml ; 0.00491 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.12
Solubility : 0.014 mg/ml ; 0.0000762 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.69

Safety of [ 19437-26-4 ]

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

Application In Synthesis of [ 19437-26-4 ]

* 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 [ 19437-26-4 ]

[ 19437-26-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 19437-26-4 ]
  • [ 83004-13-1 ]
  • (6-Ethyl-pyridin-2-yl)-di-pyridin-2-yl-methanol [ No CAS ]
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