CAS RN: 1092542-31-8
2-Bromo-6-(trimethylsilyl)phenyl triflate 95%
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-010472
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 |
1092542-31-8 / (2-bromo-6-trimethylsilylphenyl) trifluoromethanesulfonate
2-Bromo-6-(trimethylsilyl)phenyl triflate | (2-bromo-6-trimethylsilylphenyl) trifluoromethanesulfonate | 2-Bromo-6-(trimethylsilyl)phenyltriflate
Basic Information
CAS
1092542-31-8
Multi CAS
No
Molecular Formula
C10H12BrF3O3SSi
Molecular Weight
377.250000
Exact Mass
375.941190
SMILES
C[Si](C)(C)C1=C(C(=CC=C1)Br)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H12BrF3O3SSi/c1-19(2,3)8-6-4-5-7(11)9(8)17-18(15,16)10(12,13)14/h4-6H,1-3H3
InChIKey
ZNKAHJCGEPVEBA-UHFFFAOYSA-N
Synonyms
2-Bromo-6-(trimethylsilyl)phenyl triflate
(2-bromo-6-trimethylsilylphenyl) trifluoromethanesulfonate
2-Bromo-6-(trimethylsilyl)phenyltriflate
2-?Bromo-?6-?(trimethylsilyl)?phenyl triflate
SCHEMBL23301024
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
72.72
TPSA
43.37
LogP / Solubility
WLOGP
3.22
MLOGP
2.86
XLogP3
3.22
Consensus LogP
3.1
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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
Yes
Log Kp (skin permeation)
-2.73
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
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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