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CAS RN: 30081-63-1
BENZO[F]ISOQUINOLIN-4(3H)-ONE
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.20250608 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS30081-63-1
- Purity/Analytical Methods: >99.0%
30081-63-1 / 3H-benzo[f]isoquinolin-4-one
Basic Information
CAS
30081-63-1
Multi CAS
Yes
Molecular Formula
C13H9NO
Molecular Weight
195.220000
Exact Mass
195.068414
InChI
InChI=1S/C13H9NO/c15-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-14-13/h1-8H,(H,14,15)
InChIKey
WMSJINODUNXFFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.07
TPSA
32.86
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-2.01
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
