![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)
CAS RN: 915369-47-0
3-Quinolinecarbonitrile, 8-chloro-4-[(3-chloro-4-fluorophenyl)aMino]-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.20251230 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS915369-47-0
- Purity/Analytical Methods: >99.0%
915369-47-0 / 8-chloro-4-(3-chloro-4-fluoroanilino)-6-nitroquinoline-3-carbonitrile
Basic Information
CAS
915369-47-0
Multi CAS
No
Molecular Formula
C16H7CL2FN4O2
Molecular Weight
377.200000
Exact Mass
375.993009
InChI
InChI=1S/C16H7Cl2FN4O2/c17-12-3-9(1-2-14(12)19)22-15-8(6-20)7-21-16-11(15)4-10(23(24)25)5-13(16)18/h1-5,7H,(H,21,22)
InChIKey
LFDNSZIZKAKRBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
92.82
TPSA
91.85
LogP / Solubility
WLOGP
5.2
MLOGP
4.6
XLogP3
5.2
Consensus LogP
5
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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