![CAS 501364-82-5 5H-Indeno[1,2-c]isoquinoline-9-sulfonaMide, 6,11-dihydro-N-[3-(4-Morpholinyl)propyl]-5-oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/501364-82-5.gif)
CAS RN: 501364-82-5
5H-Indeno[1,2-c]isoquinoline-9-sulfonaMide, 6,11-dihydro-N-[3-(4-Morpholinyl)propyl]-5-oxo-
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.20260606 | 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS501364-82-5
- Purity/Analytical Methods: >99.0%
501364-82-5 / N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
Basic Information
CAS
501364-82-5
Multi CAS
Yes
Molecular Formula
C23H25N3O4S
Molecular Weight
439.500000
Exact Mass
439.156577
InChI
InChI=1S/C23H25N3O4S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27)
InChIKey
LTZVLHHIAUKGBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.88
TPSA
91.5
LogP / Solubility
WLOGP
2.1
MLOGP
1.88
XLogP3
1.5
Consensus LogP
1.83
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
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
No
Log Kp (skin permeation)
-3.91
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
3.5
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