![CAS 338392-56-6 1-[2-(4-FLUOROPHENYL)CYCLOPROPYL]-1-ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4774813(1).gif)
CAS RN: 338392-56-6
1-[2-(4-FLUOROPHENYL)CYCLOPROPYL]-1-ETHANONE
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.20250528 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS338392-56-6
- Purity/Analytical Methods: >99.0%
338392-56-6 / 1-[2-(4-fluorophenyl)cyclopropyl]ethanone
Basic Information
CAS
338392-56-6
Multi CAS
No
Molecular Formula
C11FH11O
Molecular Weight
178.200000
Exact Mass
178.079393
InChI
InChI=1S/C11H11FO/c1-7(13)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,10-11H,6H2,1H3
InChIKey
SESKHXRAACJREI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
47.93
TPSA
17.07
LogP / Solubility
WLOGP
2.52
MLOGP
2.21
XLogP3
1.9
Consensus LogP
2.21
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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