![CAS 123458-49-1 9-Hydroxy-pyrido[1,2-a]pyriMidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123458-49-1.gif)
CAS RN: 123458-49-1
9-Hydroxy-pyrido[1,2-a]pyriMidin-4-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250930 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS123458-49-1
- Purity/Analytical Methods: >99.0%
123458-49-1 / 9-hydroxypyrido[1,2-a]pyrimidin-4-one
Basic Information
CAS
123458-49-1
Multi CAS
No
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
SMILES
C1=CN2C(=O)C=CN=C2C(=C1)O
InChI
InChI=1S/C8H6N2O2/c11-6-2-1-5-10-7(12)3-4-9-8(6)10/h1-5,11H
InChIKey
UTKXTVQYIICBMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.13
TPSA
54.6
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
Consensus LogP
0.25
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 123464-89-1 N-(3R)-1-AZABICYCLO[2.2.2]OCT-3-YL-4-CHLOROBENZAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123464-89-1.gif)
