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: 5ml
- 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 |
|---|---|---|---|---|
| 5ml | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
763-13-3 / but-3-enyl(trimethyl)silane
Basic Information
CAS
763-13-3
Multi CAS
Yes
Molecular Formula
C7H16Si
Molecular Weight
128.290000
Exact Mass
128.102127
InChI
InChI=1S/C7H16Si/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3
InChIKey
QZGSLTWDWCYCME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.71
Rotatable bonds
3
Molar refractivity
42.97
TPSA
0.0000
LogP / Solubility
WLOGP
2.9
MLOGP
2.54
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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Dimethoxydimethylsilane
- CAS RN: 1112-39-6
- Product Code: ICTD1052
- Purity/Analytical method: >98.0%(GC)
