CAS RN: 153457-37-5
4-Hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-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.20250203 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINH905540
153457-37-5 / 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
Basic Information
CAS
153457-37-5
Multi CAS
No
Molecular Formula
C9H6N2O4
Molecular Weight
206.150000
Exact Mass
206.032757
SMILES
C1=CC2=C(NC(=O)C(=C2O)C(=O)O)N=C1
InChI
InChI=1S/C9H6N2O4/c12-6-4-2-1-3-10-7(4)11-8(13)5(6)9(14)15/h1-3H,(H,14,15)(H2,10,11,12,13)
InChIKey
YTRXTODSEMUSMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
50.99
TPSA
103.28
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
0.8
Consensus LogP
0.47
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75
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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