CAS RN: 223678-66-8
(S)-3-Hydroxy-2-Methyl-5-oxo-2,5-dihydro-pyrrole-1-carboxylic acid tert-butyl ester
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.20250113 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-109068
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 | Beijing | Inquiry |
223678-66-8 / tert-butyl (2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carboxylate
Basic Information
CAS
223678-66-8
Multi CAS
No
Molecular Formula
C10H15NO4
Molecular Weight
213.230000
Exact Mass
213.100108
SMILES
C[C@H]1C(=CC(=O)N1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C10H15NO4/c1-6-7(12)5-8(13)11(6)9(14)15-10(2,3)4/h5-6,12H,1-4H3/t6-/m0/s1
InChIKey
STOXJZVUXFUVOA-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.25
TPSA
66.84
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
0.8
Consensus LogP
1.26
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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