CAS RN: 94544-77-1
5,8-Dibromo-2,3-diphenylquinoxaline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250404 | 50mg | Out of stock | Inquiry |
- Product code: ICTD4461
- Purity/Analytical Methods: >98.0%(HPLC)(N)
94544-77-1 / 5,8-dibromo-2,3-diphenylquinoxaline
Basic Information
CAS
94544-77-1
Multi CAS
No
Molecular Formula
C20H12BR2N2
Molecular Weight
440.100000
Exact Mass
439.934670
InChI
InChI=1S/C20H12Br2N2/c21-15-11-12-16(22)20-19(15)23-17(13-7-3-1-4-8-13)18(24-20)14-9-5-2-6-10-14/h1-12H
InChIKey
LELMSURPXIAXOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
105.81
TPSA
25.78
LogP / Solubility
WLOGP
6.49
MLOGP
5.74
XLogP3
5.9
Consensus LogP
6.04
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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