CAS RN: 132426-19-8
2-Bromo-1-pyrazin-2-ylethanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-039331
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
132426-19-8 / 2-bromo-1-pyrazin-2-ylethanone
Basic Information
CAS
132426-19-8
Multi CAS
No
Molecular Formula
C6H5BrN2O
Molecular Weight
201.020000
Exact Mass
199.958530
SMILES
C1=CN=C(C=N1)C(=O)CBr
InChI
InChI=1S/C6H5BrN2O/c7-3-6(10)5-4-8-1-2-9-5/h1-2,4H,3H2
InChIKey
UJIRAGIEBOAGOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.16
TPSA
42.85
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
1
Consensus LogP
0.99
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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