![CAS 915363-56-3 8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethyl-4-piperidinyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915363-56-3.gif)
CAS RN: 915363-56-3
8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethyl-4-piperidinyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250321 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS915363-56-3
- Purity/Analytical Methods: >99.0%
915363-56-3 / 8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methylamino]quinoline-3-carbonitrile
Basic Information
CAS
915363-56-3
Multi CAS
No
Molecular Formula
C26H25CL2FN8
Molecular Weight
539.400000
Exact Mass
538.156326
InChI
InChI=1S/C26H25Cl2FN8/c1-2-36-7-5-20(6-8-36)37-15-19(34-35-37)14-31-18-9-21-25(33-17-3-4-24(29)22(27)10-17)16(12-30)13-32-26(21)23(28)11-18/h3-4,9-11,13,15,20,31H,2,5-8,14H2,1H3,(H,32,33)
InChIKey
PHNZIIMWDVXPGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
21
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
143.89
TPSA
94.69
LogP / Solubility
WLOGP
6.16
MLOGP
5.46
XLogP3
5.5
Consensus LogP
5.71
Log S (ESOL)
-7.02
Class (ESOL)
Insoluble
Log S (Ali)
-8.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
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)
-1.64
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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