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CAS 193695-64-6 1,3-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-ethenylbenzene molecular structure lightbox
CAS RN: 193695-64-6

1,3-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-ethenylbenzene

  • Product code: SSC-091512
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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 193695-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

193695-64-6 / tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-5-ethenylphenoxy]-dimethylsilane

Standard CAS: 193695-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193695-64-6
Multi CAS
No
Molecular Formula
C20H36O2Si2
Molecular Weight
364.700000
Exact Mass
364.225383
SMILES
CC(C)(C)[Si](C)(C)OC1=CC(=CC(=C1)C=C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C20H36O2Si2/c1-12-16-13-17(21-23(8,9)19(2,3)4)15-18(14-16)22-24(10,11)20(5,6)7/h12-15H,1H2,2-11H3
InChIKey
RHMQZMRZZVIEGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
112.18
TPSA
18.46

LogP / Solubility

WLOGP
7.1
MLOGP
6.27
XLogP3
7.1
Consensus LogP
6.82
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.09

Drug-likeness / Medicinal Chemistry

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

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