![CAS 132974-83-5 (2S)-2-[[[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]OXY]METHYL]-5-OXO-1-PYRROLIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132974-83-5.gif)
CAS RN: 132974-83-5
(2S)-2-[[[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]OXY]METHYL]-5-OXO-1-PYRROLIDINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-039655
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 | Shenzhen | Inquiry |
132974-83-5 / (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
Basic Information
CAS
132974-83-5
Multi CAS
No
Molecular Formula
C21H27NO2Si
Molecular Weight
353.500000
Exact Mass
353.181106
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3CCC(=O)N3
InChI
InChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-15-20(23)22-17/h4-13,17H,14-16H2,1-3H3,(H,22,23)/t17-/m0/s1
InChIKey
GVPMKPSKHXFYOR-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
104.74
TPSA
38.33
LogP / Solubility
WLOGP
2.84
MLOGP
2.52
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.86
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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