![CAS 915364-18-0 3-Quinolinecarbonitrile, 6-aMino-8-chloro-4-[(3-chloro-4-fluorophenyl)aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915364-18-0.gif)
CAS RN: 915364-18-0
3-Quinolinecarbonitrile, 6-aMino-8-chloro-4-[(3-chloro-4-fluorophenyl)aMino]-
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.20260330 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS915364-18-0
- Purity/Analytical Methods: >99.0%
915364-18-0 / 6-amino-8-chloro-4-(3-chloro-4-fluoroanilino)quinoline-3-carbonitrile
Basic Information
CAS
915364-18-0
Multi CAS
No
Molecular Formula
C16H9CL2FN4
Molecular Weight
347.200000
Exact Mass
346.018830
InChI
InChI=1S/C16H9Cl2FN4/c17-12-5-10(1-2-14(12)19)23-15-8(6-20)7-22-16-11(15)3-9(21)4-13(16)18/h1-5,7H,21H2,(H,22,23)
InChIKey
MCEANZPRIXYDJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.57
TPSA
74.73
LogP / Solubility
WLOGP
4.88
MLOGP
4.31
XLogP3
4.7
Consensus LogP
4.63
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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