![CAS 168123-82-8 7-BROMOPYRIDO[2,3-B]PYRAZINE-2,3(1H,4H)-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/168123-82-8.gif)
CAS RN: 168123-82-8
7-BROMOPYRIDO[2,3-B]PYRAZINE-2,3(1H,4H)-DIONE
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.20260106 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-073311
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 | Hong Kong | Inquiry |
168123-82-8 / 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
Basic Information
CAS
168123-82-8
Multi CAS
No
Molecular Formula
C7H4BrN3O2
Molecular Weight
242.030000
Exact Mass
240.948690
SMILES
C1=C(C=NC2=C1NC(=O)C(=O)N2)Br
InChI
InChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)11-7(13)6(12)10-4/h1-2H,(H,10,12)(H,9,11,13)
InChIKey
SMQUNTGAPNGDHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.68
TPSA
78.61
LogP / Solubility
WLOGP
0.37
MLOGP
0.33
XLogP3
0.4
Consensus LogP
0.37
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-3.93
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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