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[ CAS No. 1567360-56-8 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1567360-56-8
Chemical Structure| 1567360-56-8
Chemical Structure| 1567360-56-8
Structure of 1567360-56-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1567360-56-8 ]

CAS No. :1567360-56-8 MDL No. :MFCD27996313
Formula : C11H10N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :KCZDGDWURFYGIW-UHFFFAOYSA-N
M.W : 202.21 Pubchem ID :72943159
Synonyms :

Calculated chemistry of [ 1567360-56-8 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.27
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 57.59
TPSA : 62.12 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) : -7.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.53
Log Po/w (XLOGP3) : 0.47
Log Po/w (WLOGP) : 1.07
Log Po/w (MLOGP) : 0.5
Log Po/w (SILICOS-IT) : 1.62
Consensus Log Po/w : 1.04

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.62
Solubility : 4.85 mg/ml ; 0.024 mol/l
Class : Very soluble
Log S (Ali) : -1.34
Solubility : 9.17 mg/ml ; 0.0453 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.16
Solubility : 0.141 mg/ml ; 0.000697 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 1567360-56-8 ]

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 [ 1567360-56-8 ]

* 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 [ 1567360-56-8 ]
  • Downstream synthetic route of [ 1567360-56-8 ]

[ 1567360-56-8 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 1567360-55-7 ]
  • [ 1567360-56-8 ]
Reference: [1] Patent: WO2014/31584, 2014, A1, . Location in patent: Page/Page column 50
[2] Patent: US9611332, 2017, B2, . Location in patent: Page/Page column 43
  • 2
  • [ 1567360-55-7 ]
  • [ 144-55-8 ]
  • [ 1567360-56-8 ]
Reference: [1] Patent: US2014/57299, 2014, A1, . Location in patent: Page/Page column
  • 3
  • [ 105003-90-5 ]
  • [ 1567360-56-8 ]
Reference: [1] Patent: US2014/57299, 2014, A1,
[2] Patent: WO2014/31584, 2014, A1,
[3] Patent: US9611332, 2017, B2,
  • 4
  • [ 17484-36-5 ]
  • [ 1567360-56-8 ]
Reference: [1] Patent: US2014/57299, 2014, A1,
[2] Patent: WO2014/31584, 2014, A1,
[3] Patent: US9611332, 2017, B2,
  • 5
  • [ 57559-52-1 ]
  • [ 1567360-56-8 ]
Reference: [1] Patent: US2014/57299, 2014, A1,
[2] Patent: WO2014/31584, 2014, A1,
[3] Patent: US9611332, 2017, B2,
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