CAS RN: 115581-82-3
6-BROMO-7-NITROQUINOXALINE-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.20250504 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS115581-82-3
- Purity/Analytical Methods: >99.0%
115581-82-3 / 6-bromo-7-nitro-1,4-dihydroquinoxaline-2,3-dione
6-Bromo-7-nitro-1,4-dihydroquinoxaline-2,3-dione | 6-BROMO-7-NITROQUINOXALINE-2,3(1H,4H)-DIONE | SCHEMBL4706890
Basic Information
CAS
115581-82-3
Multi CAS
No
Molecular Formula
C8H4BrN3O4
Molecular Weight
286.040000
Exact Mass
284.938520
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])Br)NC(=O)C(=O)N2
InChI
InChI=1S/C8H4BrN3O4/c9-3-1-4-5(2-6(3)12(15)16)11-8(14)7(13)10-4/h1-2H,(H,10,13)(H,11,14)
InChIKey
YQQAKUPJVUMART-UHFFFAOYSA-N
Synonyms
6-Bromo-7-nitro-1,4-dihydroquinoxaline-2,3-dione
6-BROMO-7-NITROQUINOXALINE-2,3(1H,4H)-DIONE
SCHEMBL4706890
SCHEMBL6108459
SCHEMBL8555748
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.54
TPSA
108.86
LogP / Solubility
WLOGP
0.89
MLOGP
0.79
XLogP3
1
Consensus LogP
0.89
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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