CAS RN: 204782-93-4
5-Quinolinecarboxylic acid, 8-fluoro-
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.20260510 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS204782-93-4
- Purity/Analytical Methods: >99.0%
204782-93-4 / 8-fluoroquinoline-5-carboxylic acid
Basic Information
CAS
204782-93-4
Multi CAS
No
Molecular Formula
C10H6FNO2
Molecular Weight
191.160000
Exact Mass
191.038257
SMILES
C1=CC2=C(C=CC(=C2N=C1)F)C(=O)O
InChI
InChI=1S/C10H6FNO2/c11-8-4-3-7(10(13)14)6-2-1-5-12-9(6)8/h1-5H,(H,13,14)
InChIKey
GCKAHUABSFTSDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.66
TPSA
50.19
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.41
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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