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: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1196453-35-6 / trimethoxy(11-prop-2-enoxyundecyl)silane
ALLYLOXYUNDECYLTRIMETHOXYSILANE | MFCD03411235 | trimethoxy(11-prop-2-enoxyundecyl)silane
Basic Information
CAS
1196453-35-6
Multi CAS
No
Molecular Formula
C17H36O4Si
Molecular Weight
332.500000
Exact Mass
332.238286
SMILES
CO[Si](CCCCCCCCCCCOCC=C)(OC)OC
InChI
InChI=1S/C17H36O4Si/c1-5-15-21-16-13-11-9-7-6-8-10-12-14-17-22(18-2,19-3)20-4/h5H,1,6-17H2,2-4H3
InChIKey
IJCWCSRPVHCXOJ-UHFFFAOYSA-N
Synonyms
ALLYLOXYUNDECYLTRIMETHOXYSILANE
MFCD03411235
trimethoxy(11-prop-2-enoxyundecyl)silane
Silane, trimethoxy[11-(2-propen-1-yloxy)undecyl]-
11-Allyloxyundecyltrimethoxysilane
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.88
Rotatable bonds
17
H-bond acceptors
4
Molar refractivity
94.16
TPSA
36.92
LogP / Solubility
WLOGP
4.58
MLOGP
4.04
XLogP3
4.58
Consensus LogP
4.4
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.66
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
No
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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