CAS RN: 55419-66-4
TRIFLUORO-ACETIC ACID PHENETHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55419-66-4
- Purity/Analytical Methods: >99.0%
55419-66-4 / 2-phenylethyl 2,2,2-trifluoroacetate
Basic Information
CAS
55419-66-4
Multi CAS
Yes
Molecular Formula
C10F3H9O2
Molecular Weight
218.170000
Exact Mass
218.055464
InChI
InChI=1S/C10H9F3O2/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
JQKSSRRXELCGQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.16
TPSA
26.3
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
3.4
Consensus LogP
2.6
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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