![CAS 1228014-19-4 7-bromo-1-ethyl-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228014-19-4.gif)
CAS RN: 1228014-19-4
7-bromo-1-ethyl-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251216 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-026313
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 | Shanghai | Inquiry |
1228014-19-4 / 3-bromo-5-ethyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
Basic Information
CAS
1228014-19-4
Multi CAS
No
Molecular Formula
C8H9BrN4O
Molecular Weight
257.090000
Exact Mass
255.995970
SMILES
CCN1C(=O)CNC2=NC=C(N=C21)Br
InChI
InChI=1S/C8H9BrN4O/c1-2-13-6(14)4-11-7-8(13)12-5(9)3-10-7/h3H,2,4H2,1H3,(H,10,11)
InChIKey
NJTBQTUBDFATFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.25
TPSA
58.12
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
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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