![CAS 1260178-71-9 8-Methoxypyrido[3,4-d]pyriMidin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260178-71-9.gif)
CAS RN: 1260178-71-9
8-Methoxypyrido[3,4-d]pyriMidin-4(3H)-one
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.20250916 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1260178-71-9
- Purity/Analytical Methods: >99.0%
1260178-71-9 / 8-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one
Basic Information
CAS
1260178-71-9
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
COC1=NC=CC2=C1N=CNC2=O
InChI
InChI=1S/C8H7N3O2/c1-13-8-6-5(2-3-9-8)7(12)11-4-10-6/h2-4H,1H3,(H,10,11,12)
InChIKey
UAVYDZAGFTYRPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.71
TPSA
67.87
LogP / Solubility
WLOGP
0.33
MLOGP
0.28
XLogP3
-0.1
Consensus LogP
0.17
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.57
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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