CAS RN: 2230957-36-3
5-fluoro-2-(1-methyl-2,6-dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250222 | 10g | Out of stock | Inquiry | ||
| Batchno.20260409 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251117 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250129 | 250mg / 1g / 5g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
| Batchno.20260212 | 5g | In stock | Tianjin | Inquiry |
- Product code: SSC-108713
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2230957-36-3 / 5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Basic Information
CAS
2230957-36-3
Multi CAS
No
Molecular Formula
C14H11FN2O4
Molecular Weight
290.250000
Exact Mass
290.070285
SMILES
CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)F
InChI
InChI=1S/C14H11FN2O4/c1-16-11(18)5-4-10(14(16)21)17-12(19)8-3-2-7(15)6-9(8)13(17)20/h2-3,6,10H,4-5H2,1H3
InChIKey
NSGOKPIFBYJEIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
67.7
TPSA
74.76
LogP / Solubility
WLOGP
0.57
MLOGP
0.51
XLogP3
0.4
Consensus LogP
0.49
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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