![CAS 144193-95-3 4-([tert-Butyl(dimethyl)silyl]oxy)-1-penten-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144193-95-3.gif)
CAS RN: 144193-95-3
4-([tert-Butyl(dimethyl)silyl]oxy)-1-penten-3-one
- Product code: SSC-055407
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 | Hong Kong | Inquiry |
144193-95-3 / 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
Basic Information
CAS
144193-95-3
Multi CAS
No
Molecular Formula
C11H22O2Si
Molecular Weight
214.380000
Exact Mass
214.138906
SMILES
CC(C(=O)C=C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C11H22O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h8-9H,1H2,2-7H3
InChIKey
HXDUOOPPZPBNID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
62.95
TPSA
26.3
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
3.15
Consensus LogP
3.03
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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