![CAS 532959-63-0 N-[4-(4-Amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]-methylesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/532959-63-0.gif)
CAS RN: 532959-63-0
N-[4-(4-Amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]-methylesulfonamide
Product Availability
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7 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250416 | 1mg / 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260108 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260112 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250329 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250825 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250519 | 50mg | Out of stock | Inquiry | ||
| Batchno.20260427 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS532959-63-0
- Purity/Analytical Methods: >99.0%
532959-63-0 / N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
Basic Information
CAS
532959-63-0
Multi CAS
No
Molecular Formula
C17H23N5O2S
Molecular Weight
361.500000
Exact Mass
361.157246
InChI
InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
InChIKey
YZOQZEXYFLXNKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
13
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
100.9
TPSA
102.9
LogP / Solubility
WLOGP
2.06
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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)
-3.46
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
2.5
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