CAS RN: 2222114-22-7
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-5-fluoro-6-(1-piperazinyl)-
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.20260424 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250901 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry | |
| Batchno.20250703 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250725 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260101 | 5g | Out of stock | Inquiry |
- Product code: SSC-106835
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 |
2222114-22-7 / 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione
Basic Information
CAS
2222114-22-7
Multi CAS
No
Molecular Formula
C17H17FN4O4
Molecular Weight
360.340000
Exact Mass
360.123383
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)N4CCNCC4
InChI
InChI=1S/C17H17FN4O4/c18-11-7-9-10(8-13(11)21-5-3-19-4-6-21)17(26)22(16(9)25)12-1-2-14(23)20-15(12)24/h7-8,12,19H,1-6H2,(H,20,23,24)
InChIKey
YNGDWIBEYDEYGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
88.15
TPSA
98.82
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.3
XLogP3
-0.1
Consensus LogP
-0.25
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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