![CAS 915365-57-0 8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915365-57-0.gif)
CAS RN: 915365-57-0
8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile
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.20260609 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS915365-57-0
- Purity/Analytical Methods: >99.0%
915365-57-0 / 6-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methylamino]-8-chloro-4-(3-chloro-4-fluoroanilino)quinoline-3-carbonitrile
Basic Information
CAS
915365-57-0
Multi CAS
No
Molecular Formula
C27H27CL2FN8
Molecular Weight
553.500000
Exact Mass
552.171976
InChI
InChI=1S/C27H27Cl2FN8/c28-23-12-19(5-6-25(23)30)34-26-18(14-31)15-33-27-22(26)11-20(13-24(27)29)32-16-21-17-38(36-35-21)10-9-37-7-3-1-2-4-8-37/h5-6,11-13,15,17,32H,1-4,7-10,16H2,(H,33,34)
InChIKey
ZWFKJFUFYPOTKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
21
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
148.42
TPSA
94.69
LogP / Solubility
WLOGP
6.38
MLOGP
5.65
XLogP3
5.8
Consensus LogP
5.94
Log S (ESOL)
-7.17
Class (ESOL)
Insoluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
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)
