CAS RN: 1341195-54-7
Ethyl 4-((tert-butyldiMethylsilyl)oxy)-3-oxobutanoate
- Product code: SSC-041447
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 |
1341195-54-7 / ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutanoate
Basic Information
CAS
1341195-54-7
Multi CAS
No
Molecular Formula
C12H24O4Si
Molecular Weight
260.400000
Exact Mass
260.144386
SMILES
CCOC(=O)CC(=O)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C12H24O4Si/c1-7-15-11(14)8-10(13)9-16-17(5,6)12(2,3)4/h7-9H2,1-6H3
InChIKey
KXIDAKWIDDYFGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
69.41
TPSA
52.6
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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