CAS RN: 2589531-73-5
1,5-Naphthyridine-3-carboxylic acid, 7-ethyl-5,6-dihydro-6-oxo-, ethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260517 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2589531-73-5
- Purity/Analytical Methods: >99.0%
2589531-73-5 / ethyl 7-ethyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate
Basic Information
CAS
2589531-73-5
Multi CAS
No
Molecular Formula
C13H14N2O3
Molecular Weight
246.260000
Exact Mass
246.100442
SMILES
CCC1=CC2=C(C=C(C=N2)C(=O)OCC)NC1=O
InChI
InChI=1S/C13H14N2O3/c1-3-8-5-10-11(15-12(8)16)6-9(7-14-10)13(17)18-4-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKey
LFABDVAWNVGTSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.7
TPSA
72.05
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.3
Consensus LogP
1.48
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-3.04
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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