CAS RN: 1508966-07-1

6-amino-1,5-naphthyridine-3-carboxylic acid

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  • Product code: starshine_CAS1508966-07-1
  • Purity/Analytical Methods: >99.0%
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1508966-07-1 / 6-amino-1,5-naphthyridine-3-carboxylic acid

Standard CAS: 1508966-07-1 Multi CAS: No

Basic Information

CAS
1508966-07-1
Multi CAS
No
Molecular Formula
C9H7N3O2
Molecular Weight
189.170000
Exact Mass
189.053826
SMILES
C1=CC(=NC2=C1N=CC(=C2)C(=O)O)N
InChI
InChI=1S/C9H7N3O2/c10-8-2-1-6-7(12-8)3-5(4-11-6)9(13)14/h1-4H,(H2,10,12)(H,13,14)
InChIKey
HMOXPMFGZPBQON-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
50.91
TPSA
89.1

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.4
Consensus LogP
0.7
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.23

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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