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CAS 17961-79-4 (2,3-DIMETHYLPHENYL) TRIMETHYLSILANE molecular structure lightbox
CAS RN: 17961-79-4

(2,3-DIMETHYLPHENYL) TRIMETHYLSILANE

  • Product code: SSC-080022
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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 17961-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

17961-79-4 / (2,3-dimethylphenyl)-trimethylsilane

Standard CAS: 17961-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17961-79-4
Multi CAS
No
Molecular Formula
C11H18Si
Molecular Weight
178.350000
Exact Mass
178.117777
SMILES
CC1=C(C(=CC=C1)[Si](C)(C)C)C
InChI
InChI=1S/C11H18Si/c1-9-7-6-8-11(10(9)2)12(3,4)5/h6-8H,1-5H3
InChIKey
SEGYENMSIGDWPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
Molar refractivity
58.9
TPSA
0.0000

LogP / Solubility

WLOGP
2.85
MLOGP
2.5
XLogP3
2.85
Consensus LogP
2.73
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-1.79

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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