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CAS 2089648-55-3 ethyl 7-amino-1,5-naphthyridine-3-carboxylate molecular structure lightbox
CAS RN: 2089648-55-3

ethyl 7-amino-1,5-naphthyridine-3-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2089648-55-3
  • Purity/Analytical Methods: >99.0%
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2089648-55-3 / ethyl 7-amino-1,5-naphthyridine-3-carboxylate

Standard CAS: 2089648-55-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089648-55-3
Multi CAS
No
Molecular Formula
C11H11N3O2
Molecular Weight
217.220000
Exact Mass
217.085127
SMILES
CCOC(=O)C1=CC2=C(C=C(C=N2)N)N=C1
InChI
InChI=1S/C11H11N3O2/c1-2-16-11(15)7-3-9-10(13-5-7)4-8(12)6-14-9/h3-6H,2,12H2,1H3
InChIKey
FRWYULIBNJYRHU-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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