CAS RN: 52889-50-6
2-(4-bromophenyl)-3,5,6-triphenylpyrazine
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.20260404 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52889-50-6
- Purity/Analytical Methods: >99.0%
52889-50-6 / 2,3,5,6-tetrakis(4-bromophenyl)pyrazine
Basic Information
CAS
52889-50-6
Multi CAS
No
Molecular Formula
C28H16BR4N2
Molecular Weight
700.100000
Exact Mass
699.800600
InChI
InChI=1S/C28H16Br4N2/c29-21-9-1-17(2-10-21)25-26(18-3-11-22(30)12-4-18)34-28(20-7-15-24(32)16-8-20)27(33-25)19-5-13-23(31)14-6-19/h1-16H
InChIKey
GYJBLGCTJJHWIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
154.58
TPSA
25.78
LogP / Solubility
WLOGP
10.19
MLOGP
9.03
XLogP3
9.2
Consensus LogP
9.47
Log S (ESOL)
-10.99
Class (ESOL)
Insoluble
Log S (Ali)
-12.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.25
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3.5
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