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CAS 18666-65-4 Triphenoxyvinylsilane molecular structure lightbox
CAS RN: 18666-65-4

Triphenoxyvinylsilane

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 1g Out of stock Inquiry
Batchno.20260131 25g Out of stock Inquiry
Batchno.20250304 5g In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS18666-65-4
  • Purity/Analytical Methods: >99.0%
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18666-65-4 / ethenyl(triphenoxy)silane

Standard CAS: 18666-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18666-65-4
Multi CAS
No
Molecular Formula
C20H18O3Si
Molecular Weight
334.400000
Exact Mass
334.102521
SMILES
C=C[Si](OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C20H18O3Si/c1-2-24(21-18-12-6-3-7-13-18,22-19-14-8-4-9-15-19)23-20-16-10-5-11-17-20/h2-17H,1H2
InChIKey
FEHYCIQPPPQNMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
97.16
TPSA
27.69

LogP / Solubility

WLOGP
4.89
MLOGP
4.32
XLogP3
4.89
Consensus LogP
4.7
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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