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CAS 100516-62-9 hexakis-[(trimethylsilyl)ethynyl]benzene molecular structure lightbox
CAS RN: 100516-62-9

hexakis-[(trimethylsilyl)ethynyl]benzene

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250630 10g Out of stock Inquiry
Batchno.20260602 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250726 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251021 5g Out of stock Inquiry
  • Product code: SSC-001099
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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: ＞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 100516-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

100516-62-9 / trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethynyl)phenyl]ethynyl]silane

1,2,3,4,5,6-Hexakis((trimethylsilyl)ethynyl)benzene | hexakis[(trimethylsilyl)ethynyl]benzene | Benzene, 1,2,3,4,5,6-hexakis[2-(trimethylsilyl)ethynyl]-

Standard CAS: 100516-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100516-62-9
Multi CAS
No
Molecular Formula
C36H54Si6
Molecular Weight
655.300000
Exact Mass
654.284111
SMILES
C[Si](C)(C)C#CC1=C(C(=C(C(=C1C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChI
InChI=1S/C36H54Si6/c1-37(2,3)25-19-31-32(20-26-38(4,5)6)34(22-28-40(10,11)12)36(24-30-42(16,17)18)35(23-29-41(13,14)15)33(31)21-27-39(7,8)9/h1-18H3
InChIKey
STTDQWBKXQKNIK-UHFFFAOYSA-N
Synonyms
1,2,3,4,5,6-Hexakis((trimethylsilyl)ethynyl)benzene hexakis[(trimethylsilyl)ethynyl]benzene Benzene, 1,2,3,4,5,6-hexakis[2-(trimethylsilyl)ethynyl]- 1,2,3,4,5,6-Hexakis[2-(trimethylsilyl)ethynyl]benzene MFCD32701954

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
12
Molar refractivity
207.79
TPSA
0.0000

LogP / Solubility

WLOGP
9.06
MLOGP
8.03
XLogP3
9.06
Consensus LogP
8.72
Log S (ESOL)
-9.72
Class (ESOL)
Insoluble
Log S (Ali)
-11.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.44
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)
-0.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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