![CAS 1823331-15-2 2-bromo-5H,6H,7H-pyrrolo[2,3-b]pyrazin-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823331-15-2.gif)
CAS RN: 1823331-15-2
2-bromo-5H,6H,7H-pyrrolo[2,3-b]pyrazin-6-one
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.20251203 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-083585
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
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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1823331-15-2 / 2-bromo-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one
Basic Information
CAS
1823331-15-2
Multi CAS
No
Molecular Formula
C6H4BrN3O
Molecular Weight
214.020000
Exact Mass
212.953770
SMILES
C1C2=NC(=CN=C2NC1=O)Br
InChI
InChI=1S/C6H4BrN3O/c7-4-2-8-6-3(9-4)1-5(11)10-6/h2H,1H2,(H,8,10,11)
InChIKey
REECXIWIQIVWRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.07
TPSA
54.88
LogP / Solubility
WLOGP
0.73
MLOGP
0.65
Consensus LogP
0.46
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.5
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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