CAS RN: 141334-25-0
2,2,2-TRIFLUORO-1-TRIPHENYLSILANYL-ETHANONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250812 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS141334-25-0
- Purity/Analytical Methods: >99.0%
141334-25-0 / 2,2,2-trifluoro-1-triphenylsilylethanone
Basic Information
CAS
141334-25-0
Multi CAS
No
Molecular Formula
C20H15F3OSi
Molecular Weight
356.400000
Exact Mass
356.084426
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C(F)(F)F
InChI
InChI=1S/C20H15F3OSi/c21-20(22,23)19(24)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
LQQZKOCPXUISGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
95.04
TPSA
17.07
LogP / Solubility
WLOGP
2.83
MLOGP
2.51
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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