CAS RN: 1041420-54-5
TRIETHOXYSILYLPROPOXY(POLYETHYLENEOXY)DODECANOATE, tech-95
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250530 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1041420-54-5
- Purity/Analytical Methods: >99.0%
1041420-54-5 / 2-(3-triethoxysilylpropoxy)ethyl dodecanoate
SCHEMBL29392202 | DTXSID601147330 | 2-(3-triethoxysilylpropoxy)ethyl dodecanoate
Basic Information
CAS
1041420-54-5
Multi CAS
No
Molecular Formula
C23H48O6Si
Molecular Weight
448.700000
Exact Mass
448.322016
SMILES
CCCCCCCCCCCC(=O)OCCOCCC[Si](OCC)(OCC)OCC
InChI
InChI=1S/C23H48O6Si/c1-5-9-10-11-12-13-14-15-16-18-23(24)26-21-20-25-19-17-22-30(27-6-2,28-7-3)29-8-4/h5-22H2,1-4H3
InChIKey
IIHYFKDTIZFKNT-UHFFFAOYSA-N
Synonyms
SCHEMBL29392202
DTXSID601147330
2-(3-triethoxysilylpropoxy)ethyl dodecanoate
2-[3-(Triethoxysilyl)propoxy]ethyl dodecanoate
Poly(oxy-1,2-ethanediyl), I+/--(1-oxododecyl)-I-[3-(triethoxysilyl)propoxy]-
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.96
Rotatable bonds
23
H-bond acceptors
6
Molar refractivity
123.68
TPSA
63.22
LogP / Solubility
WLOGP
5.91
MLOGP
5.23
XLogP3
5.91
Consensus LogP
5.68
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.24
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)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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