![CAS 64436-58-4 2-METHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/64436-58-4.gif)
CAS RN: 64436-58-4
2-METHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-ONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS64436-58-4
- Purity/Analytical Methods: >99.0%
64436-58-4 / 2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
Basic Information
CAS
64436-58-4
Multi CAS
No
Molecular Formula
C11F3H11O
Molecular Weight
216.200000
Exact Mass
216.076199
InChI
InChI=1S/C11H11F3O/c1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14/h3-7H,1-2H3
InChIKey
QEYDVOACNRUMGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.61
TPSA
17.07
LogP / Solubility
WLOGP
3.54
MLOGP
3.12
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-1.52
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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