CAS RN: 86988-49-0
Ethanone, 1-(4-acetylphenyl)-2,2,2-trifluoro- (9CI)
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.20250704 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS86988-49-0
- Purity/Analytical Methods: >99.0%
86988-49-0 / 1-(4-acetylphenyl)-2,2,2-trifluoroethanone
Basic Information
CAS
86988-49-0
Multi CAS
No
Molecular Formula
C10F3H7O2
Molecular Weight
216.160000
Exact Mass
216.039814
InChI
InChI=1S/C10H7F3O2/c1-6(14)7-2-4-8(5-3-7)9(15)10(11,12)13/h2-5H,1H3
InChIKey
FCHCYEDIAATYDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.83
TPSA
34.14
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.5
Consensus LogP
2.48
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.17
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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- Purity/Analytical method: >99.0%
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- CAS RN: 87014-28-6
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