CAS RN: 82793-82-6
2′-oxoquinidinone
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250809 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS82793-82-6
- Purity/Analytical Methods: >99.0%
82793-82-6 / 4-(5-ethenyl-1-azabicyclo[2.2.2]octane-2-carbonyl)-6-methoxy-1H-quinolin-2-one
Basic Information
CAS
82793-82-6
Multi CAS
Yes
Molecular Formula
C20H22N2O3
Molecular Weight
338.400000
Exact Mass
338.163043
InChI
InChI=1S/C20H22N2O3/c1-3-12-11-22-7-6-13(12)8-18(22)20(24)16-10-19(23)21-17-5-4-14(25-2)9-15(16)17/h3-5,9-10,12-13,18H,1,6-8,11H2,2H3,(H,21,23)
InChIKey
FOJSOGQMXVIEFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.22
TPSA
62.4
LogP / Solubility
WLOGP
2.62
MLOGP
2.32
XLogP3
2.2
Consensus LogP
2.38
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
7.5
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