![CAS 114676-58-3 tert-Butyl (2R,4R)-4-[(tert-Butyldimethylsilyl)oxy]-2-(hydroxymethyl)pyrrolidine-1-carboxylate, cis molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/114676-58-3.gif)
CAS RN: 114676-58-3
tert-Butyl (2R,4R)-4-[(tert-Butyldimethylsilyl)oxy]-2-(hydroxymethyl)pyrrolidine-1-carboxylate, cis
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-014376
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 |
114676-58-3 / tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
tert-Butyl 4-[(tert-butyldimethylsilyl)oxy]-2-(hydroxymethyl)pyrrolidine-1-carboxylate | tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate | (2R,4S)-tert-butyl 4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Basic Information
CAS
114676-58-3
Multi CAS
Yes
Molecular Formula
C16H33NO4Si
Molecular Weight
331.520000
Exact Mass
331.217885
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1CO)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C16H33NO4Si/c1-15(2,3)20-14(19)17-10-13(9-12(17)11-18)21-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13-/m1/s1
InChIKey
IIITUHPEBILIQR-CHWSQXEVSA-N
Synonyms
tert-Butyl 4-[(tert-butyldimethylsilyl)oxy]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
(2R,4S)-tert-butyl 4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Tert-butyl 4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SCHEMBL1241323
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.94
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.5
TPSA
59
LogP / Solubility
WLOGP
3.38
MLOGP
2.99
XLogP3
3.38
Consensus LogP
3.25
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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