![CAS 35114-93-3 1-[4-(4-FLUOROPHENOXY)PHENYL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35114-93-3.gif)
CAS RN: 35114-93-3
1-[4-(4-FLUOROPHENOXY)PHENYL]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.20251002 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS35114-93-3
- Purity/Analytical Methods: >99.0%
35114-93-3 / 1-[4-(4-fluorophenoxy)phenyl]ethanone
Basic Information
CAS
35114-93-3
Multi CAS
No
Molecular Formula
C14FH11O2
Molecular Weight
230.230000
Exact Mass
230.074308
InChI
InChI=1S/C14H11FO2/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,1H3
InChIKey
HPLGELQKWAOYKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
62.92
TPSA
26.3
LogP / Solubility
WLOGP
3.82
MLOGP
3.37
XLogP3
3.2
Consensus LogP
3.46
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-1.41
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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BPP 9A
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