![CAS 408502-06-7 3-[5-[2-[(2-Methoxyethyl)methylamino]ethoxy]-1H-indol-2-yl]-2(1H)-quinolinone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/408502-06-7.gif)
CAS RN: 408502-06-7
3-[5-[2-[(2-Methoxyethyl)methylamino]ethoxy]-1H-indol-2-yl]-2(1H)-quinolinone
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.20251013 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS408502-06-7
- Purity/Analytical Methods: >99.0%
408502-06-7 / 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
Basic Information
CAS
408502-06-7
Multi CAS
Yes
Molecular Formula
C23H25N3O3
Molecular Weight
391.500000
Exact Mass
391.189592
InChI
InChI=1S/C23H25N3O3/c1-26(9-11-28-2)10-12-29-18-7-8-21-17(13-18)15-22(24-21)19-14-16-5-3-4-6-20(16)25-23(19)27/h3-8,13-15,24H,9-12H2,1-2H3,(H,25,27)
InChIKey
IVKQYQMLUAZKPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
19
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.73
TPSA
70.35
LogP / Solubility
WLOGP
3.63
MLOGP
3.22
XLogP3
3
Consensus LogP
3.28
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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- CAS RN: 408536-52-7
- Product Code: starshine_CAS408536-52-7
- Purity/Analytical method: >99.0%
