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CAS 260417-94-5 3-Pyrrolidinol, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (3R,5S)- molecular structure lightbox
CAS RN: 260417-94-5

3-Pyrrolidinol, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (3R,5S)-

  • Product code: SSC-122875
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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 260417-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

260417-94-5 / (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol

Standard CAS: 260417-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
260417-94-5
Multi CAS
No
Molecular Formula
C11H25NO2Si
Molecular Weight
231.410000
Exact Mass
231.165456
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](CN1)O
InChI
InChI=1S/C11H25NO2Si/c1-11(2,3)15(4,5)14-8-9-6-10(13)7-12-9/h9-10,12-13H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKey
PCTWLLFFEIRBIE-VHSXEESVSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.56
TPSA
41.49

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.73
Consensus LogP
1.66
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-2.9

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
2.5

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