CAS RN: 949900-36-1
5,8-difluoroquinolin-2(1H)-one
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.20260526 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS949900-36-1
- Purity/Analytical Methods: >99.0%
949900-36-1 / 5,8-difluoro-1H-quinolin-2-one
Basic Information
CAS
949900-36-1
Multi CAS
Yes
Molecular Formula
C9F2H5NO
Molecular Weight
181.140000
Exact Mass
181.033920
InChI
InChI=1S/C9H5F2NO/c10-6-2-3-7(11)9-5(6)1-4-8(13)12-9/h1-4H,(H,12,13)
InChIKey
STJOVFZCTNSGHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.48
TPSA
32.86
LogP / Solubility
WLOGP
1.81
MLOGP
1.59
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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