![CAS 423146-25-2 6-(6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/423146-25-2.gif)
CAS RN: 423146-25-2
6-(6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
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.20250801 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS423146-25-2
- Purity/Analytical Methods: >99.0%
423146-25-2 / 6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoic acid
Basic Information
CAS
423146-25-2
Multi CAS
No
Molecular Formula
C22H24N2O5
Molecular Weight
396.400000
Exact Mass
396.168522
InChI
InChI=1S/C22H24N2O5/c25-19(26)7-2-1-3-10-24-21(27)16-6-4-5-15-18(23-11-13-29-14-12-23)9-8-17(20(15)16)22(24)28/h4-6,8-9H,1-3,7,10-14H2,(H,25,26)
InChIKey
KKPZLGLERKAWPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
108.45
TPSA
87.15
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
2.5
Consensus LogP
2.67
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07
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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