CAS RN: 262373-15-9
4-Methyl-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 250mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: ICTM1882
- Purity/Analytical Methods: >98.0%(GC)
262373-15-9 / (4-methyl-2-trimethylsilylphenyl) trifluoromethanesulfonate
Basic Information
CAS
262373-15-9
Multi CAS
No
Molecular Formula
C11H15F3O3SSi
Molecular Weight
312.380000
Exact Mass
312.046327
SMILES
CC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
InChI
InChI=1S/C11H15F3O3SSi/c1-8-5-6-9(10(7-8)19(2,3)4)17-18(15,16)11(12,13)14/h5-7H,1-4H3
InChIKey
SKLVYEYSGSTOFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.76
TPSA
43.37
LogP / Solubility
WLOGP
2.77
MLOGP
2.45
XLogP3
2.77
Consensus LogP
2.66
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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)
-2.66
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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