CAS RN: 1536364-85-8
5-bromo-8-fluoro-1,2-dihydroisoquinolin-1-one
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260519 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260228 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260418 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250306 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250420 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1536364-85-8
- Purity/Analytical Methods: >99.0%
1536364-85-8 / 5-bromo-8-fluoro-2H-isoquinolin-1-one
Basic Information
CAS
1536364-85-8
Multi CAS
No
Molecular Formula
C9H5BrFNO
Molecular Weight
242.040000
Exact Mass
240.953850
SMILES
C1=CC(=C2C=CNC(=O)C2=C1F)Br
InChI
InChI=1S/C9H5BrFNO/c10-6-1-2-7(11)8-5(6)3-4-12-9(8)13/h1-4H,(H,12,13)
InChIKey
OPESYULZMXGCPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.23
TPSA
32.86
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.47
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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