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CAS 220520-33-2 Aron Oxetane OXT 610 molecular structure lightbox
CAS RN: 220520-33-2

Aron Oxetane OXT 610

  • Product code: SSC-106100
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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 220520-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥ 95% 0 Out of Stock Shanghai Inquiry

220520-33-2 / triethoxy-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]silane

Standard CAS: 220520-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220520-33-2
Multi CAS
No
Molecular Formula
C15H32O5Si
Molecular Weight
320.500000
Exact Mass
320.201901
SMILES
CCC1(COC1)COCCC[Si](OCC)(OCC)OCC
InChI
InChI=1S/C15H32O5Si/c1-5-15(13-17-14-15)12-16-10-9-11-21(18-6-2,19-7-3)20-8-4/h5-14H2,1-4H3
InChIKey
GAMLUOSQYHLFCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
5
Molar refractivity
84.42
TPSA
46.15

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
2.87
Consensus LogP
2.76
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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