CAS RN: 1028486-01-2
MLN-8237
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260415 | 100mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20250205 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260330 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20260315 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251121 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250906 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250503 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250329 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20251010 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250109 | 1ml | In stock | Inquiry |
- Product code: SSC-004196
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 |
1028486-01-2 / 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid
Alisertib | MLN8237 | MLN-8237
Basic Information
CAS
1028486-01-2
Multi CAS
Yes
Molecular Formula
C27H20ClFN4O4
Molecular Weight
518.900000
Exact Mass
518.115711
SMILES
COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC
InChI
InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
InChIKey
ZLHFILGSQDJULK-UHFFFAOYSA-N
Synonyms
Alisertib
MLN8237
MLN-8237
MLN 8237
4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
138.01
TPSA
105.93
LogP / Solubility
WLOGP
5.75
MLOGP
5.09
XLogP3
5
Consensus LogP
5.28
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-7.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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