CAS RN: 121757-21-9
2,5-Pyrrolidinedione,1-hydroxy-3-(1-methylethyl)-(9CI)
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.20250315 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS121757-21-9
- Purity/Analytical Methods: >99.0%
121757-21-9 / 1-hydroxy-3-propan-2-ylpyrrolidine-2,5-dione
Basic Information
CAS
121757-21-9
Multi CAS
No
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
SMILES
CC(C)C1CC(=O)N(C1=O)O
InChI
InChI=1S/C7H11NO3/c1-4(2)5-3-6(9)8(11)7(5)10/h4-5,11H,3H2,1-2H3
InChIKey
WIGWKTBHGPGHKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.58
TPSA
57.61
LogP / Solubility
WLOGP
0.41
MLOGP
0.35
Consensus LogP
0.25
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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