CAS RN: 898787-73-0
3′-ACETOXY-2,2,2-TRIFLUOROACETOPHENONE
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.20250814 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS898787-73-0
- Purity/Analytical Methods: >99.0%
898787-73-0 / [3-(2,2,2-trifluoroacetyl)phenyl] acetate
Basic Information
CAS
898787-73-0
Multi CAS
No
Molecular Formula
C10F3H7O3
Molecular Weight
232.160000
Exact Mass
232.034729
InChI
InChI=1S/C10H7F3O3/c1-6(14)16-8-4-2-3-7(5-8)9(15)10(11,12)13/h2-5H,1H3
InChIKey
IOQXUBKAIQXQSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.14
TPSA
43.37
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.46
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
