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[ CAS No. 63744-22-9 ] 6,8-Dibromoimidazo[1,2-a]pyrazine

Cat. No.: A293880
Chemical Structure| 63744-22-9
Chemical Structure| 63744-22-9
Structure of 63744-22-9 * Storage: Inert atmosphere,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 1g $5.00 Inquiry Inquiry
97% 5g $16.00 Inquiry Inquiry
97% 10g $28.00 Inquiry Inquiry
97% 25g $44.00 Inquiry Inquiry
97% 100g $175.00 Inquiry Inquiry
97% 500g $874.00 Inquiry Inquiry

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* Storage: Inert atmosphere,Room Temperature

* Shipping: Normal

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Product Details of [ 63744-22-9 ]

CAS No. :63744-22-9 MDL No. :MFCD08460056
Formula : C6H3Br2N3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :UQCZZGIPIMJBCL-UHFFFAOYSA-N
M.W : 276.92 Pubchem ID :15025843
Synonyms :

Calculated chemistry of [ 63744-22-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.39
TPSA : 30.19 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) : -6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.03
Log Po/w (XLOGP3) : 2.74
Log Po/w (WLOGP) : 2.25
Log Po/w (MLOGP) : 1.02
Log Po/w (SILICOS-IT) : 1.84
Consensus Log Po/w : 1.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.89
Solubility : 0.0358 mg/ml ; 0.000129 mol/l
Class : Soluble
Log S (Ali) : -3.03
Solubility : 0.259 mg/ml ; 0.000937 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.42
Solubility : 0.106 mg/ml ; 0.000384 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.38

Safety of [ 63744-22-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 63744-22-9 ]

* 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 [ 63744-22-9 ]

[ 63744-22-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 6971-44-4 ]
  • [ 63744-22-9 ]
  • C13H14BrN5 [ No CAS ]
  • 2
  • [ 17413-10-4 ]
  • [ 63744-22-9 ]
  • [ 1255097-91-6 ]
  • 3
  • [ 1123-63-3 ]
  • [ 63744-22-9 ]
  • C14H11BrClN3O [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: A mixture of appropriate substituted phenols (7 mmol) and potassium carbonate (1.93g, 14mmol) in 30mL DMF was stirred for 30 min at room temperature. Then, 6,8-dibromoimidazo[1,2-a]pyrazine (2) (1.94 g, 7 mmol) was added and the mixture reacted overnight at room temperature. After the reaction was completed, 100 mL H2O was added to the mixture. The resultant precipitate were filtered and dried in vacuo to obtain the crude products of 6-bromo-8-substitutedphenoxy imidazopyrazines (3-8), which could be used in the next step without further purification.
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