CAS RN: 1884230-69-6
3-(4-fluoro-1-oxoisoindolin-2-yl)piperidine-2,6-dione
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251106 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1884230-69-6
- Purity/Analytical Methods: >99.0%
1884230-69-6 / (3S)-3-(7-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Basic Information
CAS
1884230-69-6
Multi CAS
No
Molecular Formula
C13H11FN2O3
Molecular Weight
262.240000
Exact Mass
262.075370
SMILES
C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC=C3F
InChI
InChI=1S/C13H11FN2O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6H2,(H,15,17,18)/t10-/m0/s1
InChIKey
RSDXKDVFVKDIFY-JTQLQIEISA-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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