CAS RN: 915369-45-8
3-Quinolinecarbonitrile, 8-chloro-4-hydroxy-6-nitro-
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.20250915 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS915369-45-8
- Purity/Analytical Methods: >99.0%
915369-45-8 / 8-chloro-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
Basic Information
CAS
915369-45-8
Multi CAS
Yes
Molecular Formula
C10H4CLN3O3
Molecular Weight
249.610000
Exact Mass
248.994119
InChI
InChI=1S/C10H4ClN3O3/c11-8-2-6(14(16)17)1-7-9(8)13-4-5(3-12)10(7)15/h1-2,4H,(H,13,15)
InChIKey
RPISMGBJCPUIMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.95
TPSA
99.79
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
1.9
Consensus LogP
1.86
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
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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![CAS 915369-47-0 3-Quinolinecarbonitrile, 8-chloro-4-[(3-chloro-4-fluorophenyl)aMino]-6-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915369-47-0.gif)
