CAS RN: 1228591-30-7
TAK-632
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250714 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260502 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250528 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250121 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260603 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 1ml | In stock | Inquiry |
- Product code: SSC-026476
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1228591-30-7 / N-[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Basic Information
CAS
1228591-30-7
Multi CAS
No
Molecular Formula
C27H18F4N4O3S
Molecular Weight
554.500000
Exact Mass
554.103574
SMILES
C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N
InChI
InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)
InChIKey
OJFKUJDRGJSAQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
135.94
TPSA
104.11
LogP / Solubility
WLOGP
6.65
MLOGP
5.89
XLogP3
5.3
Consensus LogP
5.95
Log S (ESOL)
-7.4
Class (ESOL)
Insoluble
Log S (Ali)
-8.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.62
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)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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