![CAS 895519-91-2 BenzaMide, 4-[(4-Methyl-1-piperazinyl)Methyl]-N-[6-Methyl-5-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]-3-pyridinyl]-3-(trifluoroMethyl)-, MonoMethanesulfonate (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/895519-91-2.gif)
CAS RN: 895519-91-2
BenzaMide, 4-[(4-Methyl-1-piperazinyl)Methyl]-N-[6-Methyl-5-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]-3-pyridinyl]-3-(trifluoroMethyl)-, MonoMethanesulfonate (9CI)
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250608 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251002 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260430 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250401 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250422 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250907 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251019 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250730 | 50mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251114 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-201551
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
895519-91-2 / methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide
Basic Information
CAS
895519-91-2
Multi CAS
Yes
Molecular Formula
C30F3H33N8O4S
Molecular Weight
658.700000
Exact Mass
658.229757
InChI
InChI=1S/C29H29F3N8O.CH4O3S/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40;1-5(2,3)4/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38);1H3,(H,2,3,4)
InChIKey
ZSASDYCFROUKTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
3
Molar refractivity
167.16
TPSA
153.54
LogP / Solubility
WLOGP
4.51
MLOGP
4.02
XLogP3
4.51
Consensus LogP
4.35
Log S (ESOL)
-6.69
Class (ESOL)
Insoluble
Log S (Ali)
-8.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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