CAS RN: 2101944-50-5
8-bromoquinoxaline-5-carbaldehyde
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.20250804 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-099991
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2101944-50-5 / 8-bromoquinoxaline-5-carbaldehyde
Basic Information
CAS
2101944-50-5
Multi CAS
No
Molecular Formula
C9H5BrN2O
Molecular Weight
237.050000
Exact Mass
235.958530
SMILES
C1=CC(=C2C(=C1C=O)N=CC=N2)Br
InChI
InChI=1S/C9H5BrN2O/c10-7-2-1-6(5-13)8-9(7)12-4-3-11-8/h1-5H
InChIKey
XWSZOHAKJGMUTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.63
TPSA
42.85
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
1.4
Consensus LogP
1.85
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
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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