![CAS 950769-58-1 N-(5-tert-Butylisoxazol-3-yl)-N’-{4-[7-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/950769-58-1.gif)
CAS RN: 950769-58-1
N-(5-tert-Butylisoxazol-3-yl)-N’-{4-[7-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250215 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251106 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250203 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251218 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260425 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251118 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-210289
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
950769-58-1 / 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
Basic Information
CAS
950769-58-1
Multi CAS
Yes
Molecular Formula
C29H32N6O4S
Molecular Weight
560.700000
Exact Mass
560.220575
InChI
InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
InChIKey
CVWXJKQAOSCOAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
23
Fraction Csp3
0.34
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
2
Molar refractivity
156.61
TPSA
106.16
LogP / Solubility
WLOGP
5.86
MLOGP
5.2
XLogP3
5.6
Consensus LogP
5.55
Log S (ESOL)
-6.97
Class (ESOL)
Insoluble
Log S (Ali)
-8.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5
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