CAS RN: 2468780-76-7
2,6-Piperidinedione, 3-(5-fluoro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-
- Product code: SSC-119632
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 4 In Stock | Beijing | Inquiry |
| 1g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
2468780-76-7 / 3-(6-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Basic Information
CAS
2468780-76-7
Multi CAS
No
Molecular Formula
C13H11FN2O3
Molecular Weight
262.240000
Exact Mass
262.075370
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)F
InChI
InChI=1S/C13H11FN2O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6H2,(H,15,17,18)
InChIKey
LSIVVRDSSYETCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.45
TPSA
66.48
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
0.3
Consensus LogP
0.47
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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