CAS RN: 22966-25-2
2-Propen-1-one, 1-(4-fluorophenyl)-3-phenyl-, (2E)-
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.20260407 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22966-25-2
- Purity/Analytical Methods: >99.0%
22966-25-2 / 1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
Basic Information
CAS
22966-25-2
Multi CAS
No
Molecular Formula
C15H11FO
Molecular Weight
226.240000
Exact Mass
226.079393
SMILES
C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H11FO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
InChIKey
VKNQSJQWRINEFS-IZZDOVSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
66.21
TPSA
17.07
LogP / Solubility
WLOGP
3.72
MLOGP
3.28
XLogP3
3.2
Consensus LogP
3.4
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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