CAS RN: 160052-43-7
3-((tert-butyldiphenylsilyl)oxy)-2,2-difluoropropyl trifluoromethanesulfonate
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.20250214 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-068046
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 | Shanghai | Inquiry |
160052-43-7 / [3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl] trifluoromethanesulfonate
Basic Information
CAS
160052-43-7
Multi CAS
No
Molecular Formula
C20H23F5O4SSi
Molecular Weight
482.500000
Exact Mass
482.100648
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(COS(=O)(=O)C(F)(F)F)(F)F
InChI
InChI=1S/C20H23F5O4SSi/c1-18(2,3)31(16-10-6-4-7-11-16,17-12-8-5-9-13-17)29-15-19(21,22)14-28-30(26,27)20(23,24)25/h4-13H,14-15H2,1-3H3
InChIKey
NRORRPGWPOACKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
109.45
TPSA
52.6
LogP / Solubility
WLOGP
4.06
MLOGP
3.61
XLogP3
4.06
Consensus LogP
3.91
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
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
2.5
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