CAS RN: 1592590-69-6
5,7-Difluoro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
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.20260414 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LIND905567
1592590-69-6 / 5,7-difluoro-2-oxo-1H-quinoline-3-carboxylic acid
Basic Information
CAS
1592590-69-6
Multi CAS
No
Molecular Formula
C10H5F2NO3
Molecular Weight
225.150000
Exact Mass
225.023749
SMILES
C1=C(C=C(C2=C1NC(=O)C(=C2)C(=O)O)F)F
InChI
InChI=1S/C10H5F2NO3/c11-4-1-7(12)5-3-6(10(15)16)9(14)13-8(5)2-4/h1-3H,(H,13,14)(H,15,16)
InChIKey
XJGFLKVTRHHAHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.44
TPSA
70.16
LogP / Solubility
WLOGP
1.5
MLOGP
1.33
XLogP3
1.8
Consensus LogP
1.54
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-3.03
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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