CAS RN: 1424857-63-5
Aripiprazole iMpurity 4
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.20250429 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1424857-63-5
- Purity/Analytical Methods: >99.0%
1424857-63-5 / 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-3,4-dihydroquinolin-2-one
Basic Information
CAS
1424857-63-5
Multi CAS
No
Molecular Formula
C36H42Cl2N4O4
Molecular Weight
665.600000
Exact Mass
664.258311
SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3C(=O)CCC4=C3C=C(C=C4)OCCCCN5CCN(CC5)C6=C(C(=CC=C6)Cl)Cl
InChI
InChI=1S/C36H42Cl2N4O4/c37-30-6-5-7-32(36(30)38)41-20-18-40(19-21-41)16-1-3-22-46-29-13-9-27-11-15-35(44)42(33(27)25-29)17-2-4-23-45-28-12-8-26-10-14-34(43)39-31(26)24-28/h5-9,12-13,24-25H,1-4,10-11,14-23H2,(H,39,43)
InChIKey
KPJGTZFMHRJHQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
185.08
TPSA
74.35
LogP / Solubility
WLOGP
7
MLOGP
6.21
XLogP3
6.3
Consensus LogP
6.5
Log S (ESOL)
-7.81
Class (ESOL)
Insoluble
Log S (Ali)
-10.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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