CAS RN: 26767-00-0
METHYL 3-(TRIMETHYLSILYLOXY)CROTONATE, MIXTURE OF CIS AND TRANS, 90
- Product code: SSC-124921
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 |
26767-00-0 / methyl 3-trimethylsilyloxybut-2-enoate
Basic Information
CAS
26767-00-0
Multi CAS
No
Molecular Formula
C8H16O3Si
Molecular Weight
188.300000
Exact Mass
188.086871
SMILES
CC(=CC(=O)OC)O[Si](C)(C)C
InChI
InChI=1S/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3
InChIKey
OQNKCUVOGBTGDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
50.2
TPSA
35.53
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.91
Consensus LogP
1.83
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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