CAS RN: 1210048-05-7
7-Bromo-5-fluoro-1,4-benzodiazine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-022373
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1210048-05-7 / 7-bromo-5-fluoroquinoxaline
7-Bromo-5-fluoroquinoxaline | 7-Bromo-5-fluoro-1,4-benzodiazine | MFCD19053255
Basic Information
CAS
1210048-05-7
Multi CAS
No
Molecular Formula
C8H4BrFN2
Molecular Weight
227.030000
Exact Mass
225.954190
SMILES
C1=CN=C2C(=CC(=CC2=N1)Br)F
InChI
InChI=1S/C8H4BrFN2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h1-4H
InChIKey
MWNUJVQOZMVOAW-UHFFFAOYSA-N
Synonyms
7-Bromo-5-fluoroquinoxaline
7-Bromo-5-fluoro-1,4-benzodiazine
MFCD19053255
7-bromo-5-fluoro-quinoxaline
SCHEMBL3308529
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
Consensus LogP
2.25
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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