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CAS RN: 1956331-78-4
1-(3-fluoroquinolin-6-yl)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.20250324 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1956331-78-4
- Purity/Analytical Methods: >99.0%
1956331-78-4 / 1-(3-fluoroquinolin-6-yl)ethanone
Basic Information
CAS
1956331-78-4
Multi CAS
No
Molecular Formula
C11H8FNO
Molecular Weight
189.190000
Exact Mass
189.058992
SMILES
CC(=O)C1=CC2=CC(=CN=C2C=C1)F
InChI
InChI=1S/C11H8FNO/c1-7(14)8-2-3-11-9(4-8)5-10(12)6-13-11/h2-6H,1H3
InChIKey
QMAYPAIMLRXVGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.71
TPSA
29.96
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
1.7
Consensus LogP
2.18
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-2.04
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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