CAS RN: 39061-32-0
4-CHLORONAPHTHALIMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250627 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS39061-32-0
- Purity/Analytical Methods: >99.0%
39061-32-0 / 6-chlorobenzo[de]isoquinoline-1,3-dione
Basic Information
CAS
39061-32-0
Multi CAS
Yes
Molecular Formula
C12H6CLNO2
Molecular Weight
231.630000
Exact Mass
231.008706
InChI
InChI=1S/C12H6ClNO2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,(H,14,15,16)
InChIKey
PFNUDUPCMCKPRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.75
TPSA
46.17
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
2.6
Consensus LogP
2.36
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.45
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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