CAS RN: 1646882-64-5
1,7-Naphthyridine-3-carboxylic acid, 5-bromo-
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.20250924 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1646882-64-5
- Purity/Analytical Methods: >99.0%
1646882-64-5 / 5-bromo-1,7-naphthyridine-3-carboxylic acid
Basic Information
CAS
1646882-64-5
Multi CAS
No
Molecular Formula
C9H5BrN2O2
Molecular Weight
253.050000
Exact Mass
251.953440
SMILES
C1=C(C=NC2=CN=CC(=C21)Br)C(=O)O
InChI
InChI=1S/C9H5BrN2O2/c10-7-3-11-4-8-6(7)1-5(2-12-8)9(13)14/h1-4H,(H,13,14)
InChIKey
UTTFLGYXIKJWNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.2
TPSA
63.08
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
1.3
Consensus LogP
1.75
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.78
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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