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CAS 17988-50-0 (4-ethylphenyl)-trimethyl-silane molecular structure lightbox
CAS RN: 17988-50-0

(4-ethylphenyl)-trimethyl-silane

  • Product code: SSC-080214
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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 17988-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

17988-50-0 / (4-ethylphenyl)-trimethylsilane

Standard CAS: 17988-50-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17988-50-0
Multi CAS
No
Molecular Formula
C11H18Si
Molecular Weight
178.350000
Exact Mass
178.117777
SMILES
CCC1=CC=C(C=C1)[Si](C)(C)C
InChI
InChI=1S/C11H18Si/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,5H2,1-4H3
InChIKey
YRSSMKKBTNQBOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
Molar refractivity
58.8
TPSA
0.0000

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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