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[ CAS No. 130284-52-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 130284-52-5
Chemical Structure| 130284-52-5
Structure of 130284-52-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 130284-52-5 ]

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Product Details of [ 130284-52-5 ]

CAS No. :130284-52-5 MDL No. :MFCD09835243
Formula : C5H4BrClN2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :KGBNUDFDLHULJP-UHFFFAOYSA-N
M.W : 207.46 Pubchem ID :14595220
Synonyms :

Calculated chemistry of [ 130284-52-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.35
TPSA : 38.91 ?2

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) : -6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.49
Log Po/w (XLOGP3) : 1.82
Log Po/w (WLOGP) : 2.09
Log Po/w (MLOGP) : 1.19
Log Po/w (SILICOS-IT) : 2.03
Consensus Log Po/w : 1.72

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.77
Solubility : 0.355 mg/ml ; 0.00171 mol/l
Class : Soluble
Log S (Ali) : -2.26
Solubility : 1.15 mg/ml ; 0.00553 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.14
Solubility : 0.15 mg/ml ; 0.000724 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.97

Safety of [ 130284-52-5 ]

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

Application In Synthesis of [ 130284-52-5 ]

* 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 [ 130284-52-5 ]

[ 130284-52-5 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 22353-41-9 ]
  • [ 130284-52-5 ]
  • 2
  • [ 130284-52-5 ]
  • [ 108-24-7 ]
  • [ 130284-54-7 ]
  • 3
  • [ 5418-51-9 ]
  • [ 130284-52-5 ]
  • 4
  • [ 22353-38-4 ]
  • [ 130284-52-5 ]
  • 5
  • [ 130284-52-5 ]
  • [ 130284-56-9 ]
  • 6
  • [ 130284-52-5 ]
  • N-(5-chloro-6-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)-1-(1-oxo-1,2-dihydroisoquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide [ No CAS ]
  • 7
  • [ 130284-52-5 ]
  • N-(5-chloro-6-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide [ No CAS ]
  • 8
  • [ 130284-52-5 ]
  • methyl 3-chloro-5-(1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinate [ No CAS ]
  • 9
  • [ 130284-52-5 ]
  • N-(5-chloro-6-(hydrazinecarbonyl)pyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide [ No CAS ]
  • 10
  • [ 130284-52-5 ]
  • N-(5-chloro-6-(1,3,4-oxadiazol-2-yl)pyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide [ No CAS ]
  • 11
  • [ 130284-52-5 ]
  • methyl 3-chloro-5-(3-chloro-5-(1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinamido)picolinate [ No CAS ]
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