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CAS 17938-13-5 1,4-Bis[(trimethylsilyl)ethynyl]benzene molecular structure lightbox
CAS RN: 17938-13-5

1,4-Bis[(trimethylsilyl)ethynyl]benzene

  • Product code: SSC-079913
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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: 5g
  • Available purity: ≥97%
  • 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 17938-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

17938-13-5 / trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane

Standard CAS: 17938-13-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17938-13-5
Multi CAS
No
Molecular Formula
C16H22Si2
Molecular Weight
270.520000
Exact Mass
270.126004
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C#C[Si](C)(C)C
InChI
InChI=1S/C16H22Si2/c1-17(2,3)13-11-15-7-9-16(10-8-15)12-14-18(4,5)6/h7-10H,1-6H3
InChIKey
CMTMWEXUJQSPCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
Molar refractivity
86.89
TPSA
0.0000

LogP / Solubility

WLOGP
4.14
MLOGP
3.66
XLogP3
4.14
Consensus LogP
3.98
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43

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
1.5

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