CAS RN: 1446022-58-7
1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,4-dihydro-4-oxo-, ethyl ester
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.20250713 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1446022-58-7
- Purity/Analytical Methods: >99.0%
1446022-58-7 / ethyl 6-bromo-4-oxo-1H-1,8-naphthyridine-3-carboxylate
Basic Information
CAS
1446022-58-7
Multi CAS
No
Molecular Formula
C11H9BrN2O3
Molecular Weight
297.100000
Exact Mass
295.979650
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=C(C=N2)Br
InChI
InChI=1S/C11H9BrN2O3/c1-2-17-11(16)8-5-14-10-7(9(8)15)3-6(12)4-13-10/h3-5H,2H2,1H3,(H,13,14,15)
InChIKey
VVBHHKLVPZROOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.02
TPSA
72.05
LogP / Solubility
WLOGP
1.86
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.8
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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