CAS RN: 73471-96-2
Ethanone, 1-(4-ethylphenyl)-2,2,2-trifluoro- (9CI)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260219 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS73471-96-2
- Purity/Analytical Methods: >99.0%
73471-96-2 / 1-(4-ethylphenyl)-2,2,2-trifluoroethanone
Basic Information
CAS
73471-96-2
Multi CAS
No
Molecular Formula
C10F3H9O
Molecular Weight
202.170000
Exact Mass
202.060549
InChI
InChI=1S/C10H9F3O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h3-6H,2H2,1H3
InChIKey
ISFVKKPXBGQFRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
46.21
TPSA
17.07
LogP / Solubility
WLOGP
2.99
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.83
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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