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CAS 1379297-22-9 2-a]pyrazine-8-carboxylate molecular structure lightbox
CAS RN: 1379297-22-9

2-a]pyrazine-8-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-047693
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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: ＞95%
  • 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 1379297-22-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1379297-22-9 / methyl 6-bromoimidazo[1,2-a]pyrazine-8-carboxylate

Standard CAS: 1379297-22-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1379297-22-9
Multi CAS
No
Molecular Formula
C8H6BrN3O2
Molecular Weight
256.060000
Exact Mass
254.964340
SMILES
COC(=O)C1=NC(=CN2C1=NC=C2)Br
InChI
InChI=1S/C8H6BrN3O2/c1-14-8(13)6-7-10-2-3-12(7)4-5(9)11-6/h2-4H,1H3
InChIKey
MDEIINGCHGEFBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
52.03
TPSA
56.49

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.9
Consensus LogP
1.44
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

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

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