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CAS 267420-70-2 (2S,4R)-1-tert-butyl 2-Methyl 4-((tert-butyldiMethylsilyl)oxy)-5-oxopyrrolidine-1,2-dicarboxylate molecular structure lightbox
CAS RN: 267420-70-2

(2S,4R)-1-tert-butyl 2-Methyl 4-((tert-butyldiMethylsilyl)oxy)-5-oxopyrrolidine-1,2-dicarboxylate

  • Product code: SSC-124892
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 267420-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

267420-70-2 / 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate

Standard CAS: 267420-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
267420-70-2
Multi CAS
No
Molecular Formula
C17H31NO6Si
Molecular Weight
373.500000
Exact Mass
373.192064
SMILES
CC(C)(C)OC(=O)N1[C@@H](C[C@H](C1=O)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChI
InChI=1S/C17H31NO6Si/c1-16(2,3)23-15(21)18-11(14(20)22-7)10-12(13(18)19)24-25(8,9)17(4,5)6/h11-12H,10H2,1-9H3/t11-,12+/m0/s1
InChIKey
HGHGHRORRVDFRJ-NWDGAFQWSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
95.57
TPSA
82.14

LogP / Solubility

WLOGP
3.09
MLOGP
2.74
XLogP3
3.09
Consensus LogP
2.97
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81

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
3.5

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