CAS RN: 69404-97-3
2-(TERT-BUTYLDIMETHYLSILOXY)PENT-2-EN-4-ONE
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.20250906 | 1ml | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-179086
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 | Beijing | Inquiry |
69404-97-3 / 4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
Basic Information
CAS
69404-97-3
Multi CAS
Yes
Molecular Formula
C11H22O2Si
Molecular Weight
214.380000
Exact Mass
214.138906
InChI
InChI=1S/C11H22O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h8H,1-7H3/b10-8+
InChIKey
ZRVOCNOYAJIAAP-CSKARUKUSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
62.72
TPSA
26.3
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
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)
-1.54
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
1.5
