CAS RN: 2007920-30-9
8-amino-1,5-naphthyridine-3-carboxylic acid
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS2007920-30-9
- Purity/Analytical Methods: >99.0%
2007920-30-9 / 8-amino-1,5-naphthyridine-3-carboxylic acid
Basic Information
CAS
2007920-30-9
Multi CAS
No
Molecular Formula
C9H7N3O2
Molecular Weight
189.170000
Exact Mass
189.053826
SMILES
C1=CN=C2C=C(C=NC2=C1N)C(=O)O
InChI
InChI=1S/C9H7N3O2/c10-6-1-2-11-7-3-5(9(13)14)4-12-8(6)7/h1-4H,(H2,10,11)(H,13,14)
InChIKey
SIBGFQQJXJFIFV-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
0.1
Consensus LogP
0.6
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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