CAS RN: 1646882-61-2
1,7-Naphthyridine-3-carboxylic acid, 5-bromo-, 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.20251105 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1646882-61-2
- Purity/Analytical Methods: >99.0%
1646882-61-2 / ethyl 5-bromo-1,7-naphthyridine-3-carboxylate
Basic Information
CAS
1646882-61-2
Multi CAS
No
Molecular Formula
C11H9BrN2O2
Molecular Weight
281.100000
Exact Mass
279.984740
SMILES
CCOC(=O)C1=CC2=C(C=NC=C2N=C1)Br
InChI
InChI=1S/C11H9BrN2O2/c1-2-16-11(15)7-3-8-9(12)5-13-6-10(8)14-4-7/h3-6H,2H2,1H3
InChIKey
ULSIPBXASHTKBH-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
4
Molar refractivity
63.19
TPSA
52.08
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
2
Consensus LogP
2.28
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
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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