CAS RN: 92339-84-9
8-Aminoquinoline N-Oxide
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.20260624 | 200mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTA2211
- Purity/Analytical Methods: >98.0%(GC)(T)
92339-84-9 / 1-oxidoquinolin-1-ium-8-amine
Basic Information
CAS
92339-84-9
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
InChI
InChI=1S/C9H8N2O/c10-8-5-1-3-7-4-2-6-11(12)9(7)8/h1-6H,10H2
InChIKey
VAPLDXAYDSGTPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.32
TPSA
52.96
LogP / Solubility
WLOGP
1.06
MLOGP
0.92
XLogP3
0.1
Consensus LogP
0.69
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
