![CAS 144511-13-7 6,9-Difluorobenzo[g]isoquinoline-5,10-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/25077200.gif)
CAS RN: 144511-13-7
6,9-Difluorobenzo[g]isoquinoline-5,10-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.20251219 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-055704
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
144511-13-7 / 6,9-difluorobenzo[g]isoquinoline-5,10-dione
Basic Information
CAS
144511-13-7
Multi CAS
No
Molecular Formula
C13H5F2NO2
Molecular Weight
245.180000
Exact Mass
245.028835
SMILES
C1=CC(=C2C(=C1F)C(=O)C3=C(C2=O)C=NC=C3)F
InChI
InChI=1S/C13H5F2NO2/c14-8-1-2-9(15)11-10(8)12(17)6-3-4-16-5-7(6)13(11)18/h1-5H
InChIKey
SCOHHAVQFVXLPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
H-bond acceptors
3
Molar refractivity
57.46
TPSA
47.03
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
