CAS RN: 2089648-77-9
7-bromo-1,5-naphthyridin-3-ol
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.20260112 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2089648-77-9
- Purity/Analytical Methods: >99.0%
2089648-77-9 / 7-bromo-1,5-naphthyridin-3-ol
Basic Information
CAS
2089648-77-9
Multi CAS
No
Molecular Formula
C8H5BrN2O
Molecular Weight
225.040000
Exact Mass
223.958530
SMILES
C1=C(C=NC2=C1N=CC(=C2)Br)O
InChI
InChI=1S/C8H5BrN2O/c9-5-1-7-8(10-3-5)2-6(12)4-11-7/h1-4,12H
InChIKey
KSYAKPHTYBIMAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.9
TPSA
46.01
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
1.5
Consensus LogP
1.82
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.6
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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