![CAS 18547-54-1 4-(4-ethenylphenyl)-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/18547-54-1.gif)
CAS RN: 18547-54-1
4-(4-ethenylphenyl)-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251227 | 1g / 5g / 25g | Confirm by inquiry | Hebei, Shandong | Inquiry |
- Product code: starshine_CAS18547-54-1
- Purity/Analytical Methods: >99.0%
18547-54-1 / (4-ethenylphenyl)-tris(trimethylsilyloxy)silane
Basic Information
CAS
18547-54-1
Multi CAS
No
Molecular Formula
C17H34O3Si4
Molecular Weight
398.800000
Exact Mass
398.158501
SMILES
C[Si](C)(C)O[Si](C1=CC=C(C=C1)C=C)(O[Si](C)(C)C)O[Si](C)(C)C
InChI
InChI=1S/C17H34O3Si4/c1-11-16-12-14-17(15-13-16)24(18-21(2,3)4,19-22(5,6)7)20-23(8,9)10/h11-15H,1H2,2-10H3
InChIKey
YSCPNRPKVJPFNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
115.21
TPSA
27.69
LogP / Solubility
WLOGP
5.03
MLOGP
4.45
XLogP3
5.03
Consensus LogP
4.84
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
H413 (97.4%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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