CAS RN: 57041-95-9
3(2H)-Pyridazinone,6-amino-(6CI,7CI,9CI)
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-165133
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
57041-95-9 / 3-amino-1H-pyridazin-6-one
Basic Information
CAS
57041-95-9
Multi CAS
Yes
Molecular Formula
C4H5N3O
Molecular Weight
111.100000
Exact Mass
111.043262
InChI
InChI=1S/C4H5N3O/c5-3-1-2-4(8)7-6-3/h1-2H,(H2,5,6)(H,7,8)
InChIKey
MMZLICVOTDAZOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.27
TPSA
71.77
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.58
XLogP3
-1.3
Consensus LogP
-0.84
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.86
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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- Purity/Analytical method: >99.0%
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