CAS RN: 250641-22-6
8-fluoroquinoline-2,4-dicarboxylic acid
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.20250702 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS250641-22-6
- Purity/Analytical Methods: >99.0%
250641-22-6 / 8-fluoroquinoline-2,4-dicarboxylic acid
Basic Information
CAS
250641-22-6
Multi CAS
No
Molecular Formula
C11H6FNO4
Molecular Weight
235.170000
Exact Mass
235.028086
SMILES
C1=CC2=C(C(=C1)F)N=C(C=C2C(=O)O)C(=O)O
InChI
InChI=1S/C11H6FNO4/c12-7-3-1-2-5-6(10(14)15)4-8(11(16)17)13-9(5)7/h1-4H,(H,14,15)(H,16,17)
InChIKey
PADOPEMYRMEZCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.62
TPSA
87.49
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.7
Consensus LogP
1.68
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
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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