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CAS 2170-08-3 Dimethylbis(phenylethynyl)silane molecular structure lightbox
CAS RN: 2170-08-3

Dimethylbis(phenylethynyl)silane

  • Product code: SSC-104441
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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: ≥98%
  • 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 2170-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

2170-08-3 / dimethyl-bis(2-phenylethynyl)silane

Standard CAS: 2170-08-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2170-08-3
Multi CAS
No
Molecular Formula
C18H16Si
Molecular Weight
260.400000
Exact Mass
260.102127
SMILES
C[Si](C)(C#CC1=CC=CC=C1)C#CC2=CC=CC=C2
InChI
InChI=1S/C18H16Si/c1-19(2,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h3-12H,1-2H3
InChIKey
LRBLIVYQOCFXPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
4
Molar refractivity
84.12
TPSA
0.0000

LogP / Solubility

WLOGP
3.88
MLOGP
3.42
XLogP3
3.88
Consensus LogP
3.73
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

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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