CAS RN: 2089651-29-4
ethyl 8-amino-1,6-naphthyridine-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2089651-29-4
- Purity/Analytical Methods: >99.0%
2089651-29-4 / ethyl 8-amino-1,6-naphthyridine-3-carboxylate
Basic Information
CAS
2089651-29-4
Multi CAS
No
Molecular Formula
C11H11N3O2
Molecular Weight
217.220000
Exact Mass
217.085127
SMILES
CCOC(=O)C1=CN=C2C(=C1)C=NC=C2N
InChI
InChI=1S/C11H11N3O2/c1-2-16-11(15)8-3-7-4-13-6-9(12)10(7)14-5-8/h3-6H,2,12H2,1H3
InChIKey
FLKMBYGQUUFLBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.91
TPSA
78.1
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
0.7
Consensus LogP
1.1
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
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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