![CAS 2896-23-3 2-Ethyl-1H-Benzo[De]Isoquinoline-1,3(2H)-Dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2896-23-3.gif)
CAS RN: 2896-23-3
2-Ethyl-1H-Benzo[De]Isoquinoline-1,3(2H)-Dione
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250531 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2896-23-3
- Purity/Analytical Methods: >99.0%
2896-23-3 / 2-ethylbenzo[de]isoquinoline-1,3-dione
Basic Information
CAS
2896-23-3
Multi CAS
No
Molecular Formula
C14H11NO2
Molecular Weight
225.240000
Exact Mass
225.078979
InChI
InChI=1S/C14H11NO2/c1-2-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,2H2,1H3
InChIKey
YATFILGBMGSWTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.99
TPSA
37.38
LogP / Solubility
WLOGP
2.46
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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