CAS RN: 81839-57-8
8-Amino-3,4-dihydroquinolin-2(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.20250213 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81839-57-8
- Purity/Analytical Methods: >99.0%
81839-57-8 / 8-amino-3,4-dihydro-1H-quinolin-2-one
Basic Information
CAS
81839-57-8
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
InChI
InChI=1S/C9H10N2O/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-3H,4-5,10H2,(H,11,12)
InChIKey
AJRKQKPZYJGOKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.81
TPSA
55.12
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
0.4
Consensus LogP
0.85
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.89
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
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