Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 5g, 25g, 100g, 500g, 1000g
- Available purity: ≥97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
80522-42-5 / tri(propan-2-yl)silyl trifluoromethanesulfonate
Basic Information
CAS
80522-42-5
Multi CAS
No
Molecular Formula
C10F3H21O3SSi
Molecular Weight
306.420000
Exact Mass
306.093277
InChI
InChI=1S/C10H21F3O3SSi/c1-7(2)18(8(3)4,9(5)6)16-17(14,15)10(11,12)13/h7-9H,1-6H3
InChIKey
LHJCZOXMCGQVDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
67.11
TPSA
43.37
LogP / Solubility
WLOGP
4.03
MLOGP
3.56
XLogP3
4.03
Consensus LogP
3.87
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
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
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