CAS RN: 61062-55-3
2-PHENYL-4′-TRIFLUOROMETHYLACETOPHENONE
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.20260118 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61062-55-3
- Purity/Analytical Methods: >99.0%
61062-55-3 / 2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone
Basic Information
CAS
61062-55-3
Multi CAS
No
Molecular Formula
C15F3H11O
Molecular Weight
264.240000
Exact Mass
264.076199
InChI
InChI=1S/C15H11F3O/c16-15(17,18)13-8-6-12(7-9-13)14(19)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
SOHDNUBGOFCYMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
65.92
TPSA
17.07
LogP / Solubility
WLOGP
4.13
MLOGP
3.64
XLogP3
4.1
Consensus LogP
3.96
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
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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