CAS RN: 60129-85-3
Pentafluorophenyl Trifluoromethanesulfonate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260309 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260216 | 1g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250919 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260221 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250808 | 5g | In stock | Shanghai, Tianjin | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260429 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-168701
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: 5g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
60129-85-3 / (2,3,4,5,6-pentafluorophenyl) trifluoromethanesulfonate
Basic Information
CAS
60129-85-3
Multi CAS
No
Molecular Formula
C7F8O3S
Molecular Weight
316.130000
Exact Mass
315.944040
InChI
InChI=1S/C7F8O3S/c8-1-2(9)4(11)6(5(12)3(1)10)18-19(16,17)7(13,14)15
InChIKey
OTTBRWDUQHDNBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.83
TPSA
43.37
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
3.2
Consensus LogP
2.71
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
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
