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CAS 105122-15-4 (5S)-(5-TERT-BUTYLDIMETHYLSILOXYMETHYL)FURAN-2(5H)-ONE molecular structure lightbox
CAS RN: 105122-15-4

(5S)-(5-TERT-BUTYLDIMETHYLSILOXYMETHYL)FURAN-2(5H)-ONE

  • Product code: SSC-006862
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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 105122-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

105122-15-4 / (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one

SCHEMBL6338491

Standard CAS: 105122-15-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105122-15-4
Multi CAS
Yes
Molecular Formula
C11H20O3Si
Molecular Weight
228.360000
Exact Mass
228.118171
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)O1
InChI
InChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)13-8-9-6-7-10(12)14-9/h6-7,9H,8H2,1-5H3/t9-/m0/s1
InChIKey
OBEODKRPVKJAIX-VIFPVBQESA-N
Synonyms
SCHEMBL6338491

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
62.17
TPSA
35.53

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly 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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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