![CAS 20886-77-5 PyriMido[4,5-c]pyridazine-5,7(1H,6H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20886-77-5.gif)
CAS RN: 20886-77-5
PyriMido[4,5-c]pyridazine-5,7(1H,6H)-dione
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.20260118 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-098151
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
20886-77-5 / 8H-pyrimido[4,5-c]pyridazine-5,7-dione
Basic Information
CAS
20886-77-5
Multi CAS
No
Molecular Formula
C6H4N4O2
Molecular Weight
164.120000
Exact Mass
164.033425
SMILES
C1=CN=NC2=C1C(=O)NC(=O)N2
InChI
InChI=1S/C6H4N4O2/c11-5-3-1-2-7-10-4(3)8-6(12)9-5/h1-2H,(H2,8,9,10,11,12)
InChIKey
ZIMDKZKMFQILPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.78
TPSA
91.5
LogP / Solubility
WLOGP
-0.99
MLOGP
-0.88
XLogP3
-1.3
Consensus LogP
-1.06
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.1
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.43
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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