CAS RN: 54802-79-8
POLY(2,2,2-TRIFLUOROETHYL METHACRYLATE)
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.20250812 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS54802-79-8
- Purity/Analytical Methods: >99.0%
54802-79-8 / 2,2,2-trifluoroethyl 2-methylprop-2-enoate
Basic Information
CAS
54802-79-8
Multi CAS
Yes
Molecular Formula
C6F3H7O2
Molecular Weight
168.110000
Exact Mass
168.039814
InChI
InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3
InChIKey
QTKPMCIBUROOGY-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
31.83
TPSA
26.3
LogP / Solubility
WLOGP
1.67
MLOGP
1.46
XLogP3
2.7
Consensus LogP
1.94
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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