CAS RN: 54885-04-0
Phenyl(8-quinolyl) ketone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS54885-04-0
- Purity/Analytical Methods: >99.0%
54885-04-0 / phenyl(quinolin-8-yl)methanone
Basic Information
CAS
54885-04-0
Multi CAS
Yes
Molecular Formula
C16H11NO
Molecular Weight
233.260000
Exact Mass
233.084064
InChI
InChI=1S/C16H11NO/c18-16(13-6-2-1-3-7-13)14-10-4-8-12-9-5-11-17-15(12)14/h1-11H
InChIKey
XGLCXRBETLAFRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.62
TPSA
29.96
LogP / Solubility
WLOGP
3.47
MLOGP
3.05
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
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)
-1.68
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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