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CAS 1239720-32-1 6-broMo-8-chloro-2-MethyliMidazo[1,2-a]pyrazine molecular structure lightbox
CAS RN: 1239720-32-1

6-broMo-8-chloro-2-MethyliMidazo[1,2-a]pyrazine

  • Product code: SSC-027624
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1239720-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1239720-32-1 / 6-bromo-8-chloro-2-methylimidazo[1,2-a]pyrazine

Standard CAS: 1239720-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1239720-32-1
Multi CAS
No
Molecular Formula
C7H5BrClN3
Molecular Weight
246.490000
Exact Mass
244.935540
SMILES
CC1=CN2C=C(N=C(C2=N1)Cl)Br
InChI
InChI=1S/C7H5BrClN3/c1-4-2-12-3-5(8)11-6(9)7(12)10-4/h2-3H,1H3
InChIKey
RISWJECEETZXSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
50.43
TPSA
30.19

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
3.1
Consensus LogP
2.57
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

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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