CAS RN: 2251-59-4
7-Bromo-2-fluoroquinoxaline
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.20260113 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2251-59-4
- Purity/Analytical Methods: >99.0%
2251-59-4 / 7-bromo-2-fluoroquinoxaline
Basic Information
CAS
2251-59-4
Multi CAS
No
Molecular Formula
C8H4BrFN2
Molecular Weight
227.030000
Exact Mass
225.954190
SMILES
C1=CC2=NC=C(N=C2C=C1Br)F
InChI
InChI=1S/C8H4BrFN2/c9-5-1-2-6-7(3-5)12-8(10)4-11-6/h1-4H
InChIKey
DBAREWVLONGICU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
47.2
TPSA
25.78
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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