![CAS 262852-00-6 Ethanone, 1-(3-fluorobicyclo[1.1.1]pent-1-yl)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/262852-00-6.gif)
CAS RN: 262852-00-6
Ethanone, 1-(3-fluorobicyclo[1.1.1]pent-1-yl)- (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.20250814 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS262852-00-6
- Purity/Analytical Methods: >99.0%
262852-00-6 / 1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethanone
Basic Information
CAS
262852-00-6
Multi CAS
No
Molecular Formula
C7H9FO
Molecular Weight
128.140000
Exact Mass
128.063743
SMILES
CC(=O)C12CC(C1)(C2)F
InChI
InChI=1S/C7H9FO/c1-5(9)6-2-7(8,3-6)4-6/h2-4H2,1H3
InChIKey
GEEQUEPLYKWIQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
30.8
TPSA
17.07
LogP / Solubility
WLOGP
1.47
MLOGP
1.28
XLogP3
0.6
Consensus LogP
1.12
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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