CAS RN: 332366-57-1
6-Bromoquinolin-4(1H)-one
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.20260315 | 1g / 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS332366-57-1
- Purity/Analytical Methods: >99.0%
332366-57-1 / 6-bromo-1H-quinolin-4-one
Basic Information
CAS
332366-57-1
Multi CAS
Yes
Molecular Formula
BC9H6ORn
Molecular Weight
224.050000
Exact Mass
222.963280
InChI
InChI=1S/C9H6BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChIKey
XKLBNOHKHRAXKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.27
TPSA
32.86
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
1.3
Consensus LogP
1.87
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
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)
-2.46
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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