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CAS 18001-13-3 Trimethoxy(4-vinylphenyl)silane molecular structure lightbox
CAS RN: 18001-13-3

Trimethoxy(4-vinylphenyl)silane

  • Product code: SSC-080412
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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 18001-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

18001-13-3 / (4-ethenylphenyl)-trimethoxysilane

Standard CAS: 18001-13-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18001-13-3
Multi CAS
No
Molecular Formula
C11H16O3Si
Molecular Weight
224.330000
Exact Mass
224.086871
SMILES
CO[Si](C1=CC=C(C=C1)C=C)(OC)OC
InChI
InChI=1S/C11H16O3Si/c1-5-10-6-8-11(9-7-10)15(12-2,13-3)14-4/h5-9H,1H2,2-4H3
InChIKey
LTQBNYCMVZQRSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
62.95
TPSA
27.69

LogP / Solubility

WLOGP
1.41
MLOGP
1.25
XLogP3
1.41
Consensus LogP
1.36
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-3.08

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

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (95%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (95%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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