CAS RN: 89891-77-0
6,7-dibromo-1,4-dihydroquinoxaline-2,3-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.20250408 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89891-77-0
- Purity/Analytical Methods: >99.0%
89891-77-0 / 6,7-dibromo-1,4-dihydroquinoxaline-2,3-dione
Basic Information
CAS
89891-77-0
Multi CAS
Yes
Molecular Formula
C8H4BR2N2O2
Molecular Weight
319.940000
Exact Mass
319.861900
InChI
InChI=1S/C8H4Br2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
InChIKey
FVXPGHAWNRHHJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.59
TPSA
65.72
LogP / Solubility
WLOGP
1.74
MLOGP
1.55
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44
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
