CAS RN: 203395-78-2
Aripiprazole Impurity 19
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.20260618 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS203395-78-2
- Purity/Analytical Methods: >99.0%
203395-78-2 / 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Basic Information
CAS
203395-78-2
Multi CAS
No
Molecular Formula
C23H27Cl2N3O2
Molecular Weight
448.400000
Exact Mass
447.148033
SMILES
C1CC(=O)NC2=C1C(=CC=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C23H27Cl2N3O2/c24-18-5-3-7-20(23(18)25)28-14-12-27(13-15-28)11-1-2-16-30-21-8-4-6-19-17(21)9-10-22(29)26-19/h3-8H,1-2,9-16H2,(H,26,29)
InChIKey
IJUWKLVEAYGXDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
123.24
TPSA
44.81
LogP / Solubility
WLOGP
4.86
MLOGP
4.31
XLogP3
4.6
Consensus LogP
4.59
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
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
Yes
Log Kp (skin permeation)
-2.01
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
3
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- CAS RN: 203436-13-9
- Product Code: starshine_CAS203436-13-9
- Purity/Analytical method: >99.0%
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![CAS 203436-13-9 9H-Purin-6-aMine, 2-chloro-N-[(4-Methoxyphenyl)Methyl]-9-(1-Methylethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/203436-13-9.gif)
