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[ CAS No. 63744-25-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 63744-25-2
Chemical Structure| 63744-25-2
Chemical Structure| 63744-25-2
Structure of 63744-25-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 63744-25-2 ]

CAS No. :63744-25-2 MDL No. :MFCD09835036
Formula : C7H6BrN3O Boiling Point : -
Linear Structure Formula :- InChI Key :NFZLMWYHNQPCDZ-UHFFFAOYSA-N
M.W : 228.05 Pubchem ID :11790955
Synonyms :

Calculated chemistry of [ 63744-25-2 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.18
TPSA : 39.42 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) : -6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.12
Log Po/w (XLOGP3) : 2.02
Log Po/w (WLOGP) : 1.5
Log Po/w (MLOGP) : 0.42
Log Po/w (SILICOS-IT) : 1.09
Consensus Log Po/w : 1.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.02
Solubility : 0.22 mg/ml ; 0.000965 mol/l
Class : Soluble
Log S (Ali) : -2.48
Solubility : 0.764 mg/ml ; 0.00335 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.7
Solubility : 0.454 mg/ml ; 0.00199 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.6

Safety of [ 63744-25-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 63744-25-2 ]

* 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 [ 63744-25-2 ]

[ 63744-25-2 ] Synthesis Path-Downstream   1~27

  • 1
  • [ 50-00-0 ]
  • [ 63744-25-2 ]
  • [ 238422-39-4 ]
  • 2
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  • [ 142744-37-4 ]
  • 3
  • [ 63744-25-2 ]
  • 6-Bromo-8-methoxy-3-nitro-imidazo[1,2-a]pyrazine [ No CAS ]
  • 4
  • [ 123-38-6 ]
  • [ 63744-25-2 ]
  • 6-bromo-5-(1-hydroxypropyl)-8-methoxyimidazo[1,2-a]pyrazine [ No CAS ]
  • [ 209797-89-7 ]
  • 6
  • [ 63744-25-2 ]
  • 5-(1-hydroxypropyl)-8-methoxyimidazo[1,2-a]pyrazine [ No CAS ]
  • 7
  • [ 63744-25-2 ]
  • 3,5-bis(1-hydroxypropyl)-8-methoxyimidazo[1,2-a]pyrazine [ No CAS ]
  • 8
  • [ 63744-25-2 ]
  • PAB 30 [ No CAS ]
  • 9
  • [ 63744-25-2 ]
  • [ 98-80-6 ]
  • [ 1412909-17-1 ]
  • 10
  • [ 40473-07-2 ]
  • [ 63744-25-2 ]
  • [ 98-80-6 ]
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  • 11
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  • 12
  • [ 104-95-0 ]
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  • 13
  • [ 618-89-3 ]
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  • 14
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  • 15
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  • 16
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  • [ 63744-25-2 ]
  • [ 98-80-6 ]
  • [ 1412909-07-9 ]
  • 17
  • [ 108-86-1 ]
  • [ 63744-25-2 ]
  • [ 98-80-6 ]
  • [ 1412909-17-1 ]
  • [ 1412908-95-2 ]
  • 18
  • [ 108-86-1 ]
  • [ 63744-25-2 ]
  • [ 98-80-6 ]
  • [ 1412908-95-2 ]
  • 19
  • [ 513-37-1 ]
  • [ 63744-25-2 ]
  • [ 98-80-6 ]
  • [ 1412909-07-9 ]
  • 20
  • [ 108-86-1 ]
  • [ 5720-07-0 ]
  • [ 63744-25-2 ]
  • [ 1412908-96-3 ]
  • 21
  • [ 5720-07-0 ]
  • [ 108-90-7 ]
  • [ 63744-25-2 ]
  • [ 1412908-96-3 ]
  • 22
  • [ 591-50-4 ]
  • [ 5720-07-0 ]
  • [ 63744-25-2 ]
  • [ 1412908-96-3 ]
  • 23
  • [ 108-86-1 ]
  • [ 1765-93-1 ]
  • [ 63744-25-2 ]
  • [ 1412908-97-4 ]
  • 24
  • [ 586-77-6 ]
  • [ 1423-26-3 ]
  • [ 63744-25-2 ]
  • [ 1412908-98-5 ]
  • 25
  • [ 108-37-2 ]
  • [ 28611-39-4 ]
  • [ 63744-25-2 ]
  • [ 1412908-99-6 ]
  • 26
  • [ 557-93-7 ]
  • [ 13331-27-6 ]
  • [ 63744-25-2 ]
  • [ 1412909-08-0 ]
  • 27
  • [ 108-86-1 ]
  • [ 63744-25-2 ]
  • [ 1412908-95-2 ]
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