CAS RN: 63744-24-1

3,6,8-Tribromo-imidazo[1,2-a]pyrazine

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  • Product code: starshine_CAS63744-24-1
  • Purity/Analytical Methods: >99.0%
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63744-24-1 / 3,6,8-tribromoimidazo[1,2-a]pyrazine

Standard CAS: 63744-24-1 Multi CAS: No

Basic Information

CAS
63744-24-1
Multi CAS
No
Molecular Formula
C6H2BR3N3
Molecular Weight
355.810000
Exact Mass
354.777840
InChI
InChI=1S/C6H2Br3N3/c7-3-2-12-4(8)1-10-6(12)5(9)11-3/h1-2H
InChIKey
KOYWJTGSMJPNFV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
56.09
TPSA
30.19

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
3.8
Consensus LogP
3.16
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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