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CAS 1245644-46-5 8-Bromo-3-iodoimidazo[1,2-a]pyrazine molecular structure lightbox
CAS RN: 1245644-46-5

8-Bromo-3-iodoimidazo[1,2-a]pyrazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1245644-46-5
  • Purity/Analytical Methods: >99.0%
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1245644-46-5 / 8-bromo-3-iodoimidazo[1,2-a]pyrazine

Standard CAS: 1245644-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245644-46-5
Multi CAS
No
Molecular Formula
C6H3BrIN3
Molecular Weight
323.920000
Exact Mass
322.855510
SMILES
C1=CN2C(=CN=C2C(=N1)Br)I
InChI
InChI=1S/C6H3BrIN3/c7-5-6-10-3-4(8)11(6)2-1-9-5/h1-3H
InChIKey
NOZCLAVGNUXSGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
53.4
TPSA
30.19

LogP / Solubility

WLOGP
2.1
MLOGP
1.86
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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