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CAS RN: 40511-70-4
pyrido[3,4-d]pyridazin-4(3H)-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.20250410 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS40511-70-4
- Purity/Analytical Methods: >99.0%
40511-70-4 / 3H-pyrido[3,4-d]pyridazin-4-one
Basic Information
CAS
40511-70-4
Multi CAS
Yes
Molecular Formula
C7H5N3O
Molecular Weight
147.130000
Exact Mass
147.043262
InChI
InChI=1S/C7H5N3O/c11-7-6-4-8-2-1-5(6)3-9-10-7/h1-4H,(H,10,11)
InChIKey
KKQTYJJTLHAINM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.16
TPSA
58.64
LogP / Solubility
WLOGP
0.32
MLOGP
0.27
XLogP3
-0.4
Consensus LogP
0.06
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very 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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
