![CAS 53439-81-9 8]naphthyridin-6(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53439-81-9.gif)
CAS RN: 53439-81-9
8]naphthyridin-6(5H)-one
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock2 grade groups
- Product code: starshine_CAS53439-81-9
- Purity/Analytical Methods: >99.0%
53439-81-9 / 5H-benzo[c][1,8]naphthyridin-6-one
Basic Information
CAS
53439-81-9
Multi CAS
No
Molecular Formula
C12H8N2O
Molecular Weight
196.200000
Exact Mass
196.063663
InChI
InChI=1S/C12H8N2O/c15-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)14-12/h1-7H,(H,13,14,15)
InChIKey
YLSBDRGLLZDAKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.87
TPSA
45.75
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.7
Consensus LogP
1.87
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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