CAS RN: 1402742-11-3
2-(BENZYLOXY)-1-(2-FLUOROPHENYL)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.20250711 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1402742-11-3
- Purity/Analytical Methods: >99.0%
1402742-11-3 / 1-(2-fluorophenyl)-2-phenylmethoxyethanone
Basic Information
CAS
1402742-11-3
Multi CAS
No
Molecular Formula
C15H13FO2
Molecular Weight
244.260000
Exact Mass
244.089958
SMILES
C1=CC=C(C=C1)COCC(=O)C2=CC=CC=C2F
InChI
InChI=1S/C15H13FO2/c16-14-9-5-4-8-13(14)15(17)11-18-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
GIUUPQFIPDASFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
66.83
TPSA
26.3
LogP / Solubility
WLOGP
3.23
MLOGP
2.84
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
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)
-1.92
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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