CAS RN: 410542-70-0
8-hydroxy-1,6-naphthyridine-7-carboxylic acid
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4 package records1 with current stock1 grade group
- Product code: starshine_CAS410542-70-0
- Purity/Analytical Methods: >99.0%
410542-70-0 / 8-hydroxy-1,6-naphthyridine-7-carboxylic acid
Basic Information
CAS
410542-70-0
Multi CAS
No
Molecular Formula
C9H6N2O3
Molecular Weight
190.160000
Exact Mass
190.037842
InChI
InChI=1S/C9H6N2O3/c12-8-6-5(2-1-3-10-6)4-11-7(8)9(13)14/h1-4,12H,(H,13,14)
InChIKey
YKJPPGSOGMPOFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.16
TPSA
83.31
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.2
Consensus LogP
1.05
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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