CAS RN: 399-10-0
4′-Fluorochalcone
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250326 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | 8-10 business days | Inquiry |
- Product code: ICTF0425
- Purity/Analytical Methods: >98.0%(HPLC)
399-10-0 / 1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
Basic Information
CAS
399-10-0
Multi CAS
Yes
Molecular Formula
C15FH11O
Molecular Weight
226.240000
Exact Mass
226.079393
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
InChIKey
VKNQSJQWRINEFS-UHFFFAOYSA-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
