![CAS 220993-22-6 (2S)-2-[[tert-ButyldiMethylsilyloxy]Methyl]-4-oxo-1-pyrrolidinecarboxylic Acid tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220993-22-6.gif)
CAS RN: 220993-22-6
(2S)-2-[[tert-ButyldiMethylsilyloxy]Methyl]-4-oxo-1-pyrrolidinecarboxylic Acid tert-Butyl Ester
- Product code: SSC-106310
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 |
220993-22-6 / tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carboxylate
Basic Information
CAS
220993-22-6
Multi CAS
No
Molecular Formula
C16H31NO4Si
Molecular Weight
329.510000
Exact Mass
329.202235
SMILES
CC(C)(C)OC(=O)N1CC(=O)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C16H31NO4Si/c1-15(2,3)21-14(19)17-10-13(18)9-12(17)11-20-22(7,8)16(4,5)6/h12H,9-11H2,1-8H3/t12-/m0/s1
InChIKey
WYTKTRHPVBKXRU-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
89.5
TPSA
55.84
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
3.59
Consensus LogP
3.45
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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