![CAS 2055848-74-1 4,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,3,5-trione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055848-74-1.gif)
CAS RN: 2055848-74-1
4,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,3,5-trione
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.20250414 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-096818
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 | Hong Kong | Inquiry |
2055848-74-1 / 4,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,3,5-trione
Basic Information
CAS
2055848-74-1
Multi CAS
No
Molecular Formula
C14H15NO3
Molecular Weight
245.270000
Exact Mass
245.105193
SMILES
C[C@H](C1=CC=CC=C1)N2C(=O)C(=O)C(C2=O)(C)C
InChI
InChI=1S/C14H15NO3/c1-9(10-7-5-4-6-8-10)15-12(17)11(16)14(2,3)13(15)18/h4-9H,1-3H3/t9-/m1/s1
InChIKey
UKNKEVVZJPNQQB-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.5
TPSA
54.45
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
2.1
Consensus LogP
1.77
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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