![CAS 1849603-58-2 2(1H)-Quinolinone, 7-[4-(1-piperazinyl)butoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1849603-58-2.gif)
CAS RN: 1849603-58-2
2(1H)-Quinolinone, 7-[4-(1-piperazinyl)butoxy]-
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.20250809 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1849603-58-2
- Purity/Analytical Methods: >99.0%
1849603-58-2 / 7-(4-piperazin-1-ylbutoxy)-1H-quinolin-2-one
Basic Information
CAS
1849603-58-2
Multi CAS
No
Molecular Formula
C17H23N3O2
Molecular Weight
301.400000
Exact Mass
301.179027
SMILES
C1CN(CCN1)CCCCOC2=CC3=C(C=C2)C=CC(=O)N3
InChI
InChI=1S/C17H23N3O2/c21-17-6-4-14-3-5-15(13-16(14)19-17)22-12-2-1-9-20-10-7-18-8-11-20/h3-6,13,18H,1-2,7-12H2,(H,19,21)
InChIKey
MOSFIXBUFUWWCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
88.61
TPSA
57.36
LogP / Solubility
WLOGP
1.59
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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