CAS RN: 81-83-4
1,8-Naphthalimide
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260504 | 5g | In stock | Shandong | Inquiry |
- Product code: ICTN0456
- Purity/Analytical Methods: >98.0%(HPLC)(N)
81-83-4 / benzo[de]isoquinoline-1,3-dione
Basic Information
CAS
81-83-4
Multi CAS
Yes
Molecular Formula
C12H7NO2
Molecular Weight
197.190000
Exact Mass
197.047678
InChI
InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
InChIKey
XJHABGPPCLHLLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.74
TPSA
46.17
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
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
