CAS RN: 658084-23-2
SU 11274
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250620 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260606 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20251118 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250508 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260131 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS658084-23-2
- Purity/Analytical Methods: >99.0%
658084-23-2 / (3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
Basic Information
CAS
658084-23-2
Multi CAS
Yes
Molecular Formula
C28H30CLN5O4S
Molecular Weight
568.100000
Exact Mass
567.170703
InChI
InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
InChIKey
FPYJSJDOHRDAMT-KQWNVCNZSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
17
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
153.65
TPSA
105.82
LogP / Solubility
WLOGP
3.99
MLOGP
3.56
XLogP3
3.1
Consensus LogP
3.55
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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