CAS RN: 2702457-63-2
2,6-Piperidinedione, 3-(1,3-dihydro-4-hydroxy-1-oxo-2H-isoindol-2-yl)-, (3S)-
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.20251225 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250714 | 1g | Out of stock | Inquiry | ||
| Batchno.20260311 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251010 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260608 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2702457-63-2
- Purity/Analytical Methods: >99.0%
2702457-63-2 / 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Basic Information
CAS
2702457-63-2
Multi CAS
No
Molecular Formula
C13H12N2O4
Molecular Weight
260.240000
Exact Mass
260.079707
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3O
InChI
InChI=1S/C13H12N2O4/c16-10-3-1-2-7-8(10)6-15(13(7)19)9-4-5-11(17)14-12(9)18/h1-3,9,16H,4-6H2,(H,14,17,18)
InChIKey
HGPRKOYQOBYISD-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
4
H-bond donors
2
Molar refractivity
64.15
TPSA
86.71
LogP / Solubility
WLOGP
0.15
MLOGP
0.14
XLogP3
-0.2
Consensus LogP
0.03
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-4.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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