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CAS 1346817-49-9 1-(6-Fluoroquinolin-8-yl)ethanone molecular structure lightbox
CAS RN: 1346817-49-9

1-(6-Fluoroquinolin-8-yl)ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1346817-49-9
  • Purity/Analytical Methods: >99.0%
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1346817-49-9 / 1-(6-fluoroquinolin-8-yl)ethanone

Standard CAS: 1346817-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346817-49-9
Multi CAS
No
Molecular Formula
C11H8FNO
Molecular Weight
189.190000
Exact Mass
189.058992
SMILES
CC(=O)C1=C2C(=CC(=C1)F)C=CC=N2
InChI
InChI=1S/C11H8FNO/c1-7(14)10-6-9(12)5-8-3-2-4-13-11(8)10/h2-6H,1H3
InChIKey
LUARUWIBWQTXMZ-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
2
Consensus LogP
2.28
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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