![CAS 81227-99-8 1-[4-(BENZYLOXY)-3-FLUOROPHENYL]-1-ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81227-99-8.gif)
CAS RN: 81227-99-8
1-[4-(BENZYLOXY)-3-FLUOROPHENYL]-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.20260507 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81227-99-8
- Purity/Analytical Methods: >99.0%
81227-99-8 / 1-(3-fluoro-4-phenylmethoxyphenyl)ethanone
Basic Information
CAS
81227-99-8
Multi CAS
No
Molecular Formula
C15FH13O2
Molecular Weight
244.260000
Exact Mass
244.089958
InChI
InChI=1S/C15H13FO2/c1-11(17)13-7-8-15(14(16)9-13)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
YLVZBSLWHNSLNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
67.18
TPSA
26.3
LogP / Solubility
WLOGP
3.61
MLOGP
3.18
XLogP3
3.2
Consensus LogP
3.33
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
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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