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
- Available purity: >95%
- Inventory rows with stock: 4
- 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 | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >95% | 0 Out of Stock | Beijing | Inquiry |
22626-56-8 / 5-bromo-1H-pyridazin-6-one
Basic Information
CAS
22626-56-8
Multi CAS
No
Molecular Formula
C4H3BrN2O
Molecular Weight
174.980000
Exact Mass
173.942880
SMILES
C1=C(C(=O)NN=C1)Br
InChI
InChI=1S/C4H3BrN2O/c5-3-1-2-6-7-4(3)8/h1-2H,(H,7,8)
InChIKey
NGHYNQXIQNWYLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.56
TPSA
45.75
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.2
Consensus LogP
0.4
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.41
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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bupicomide
- CAS RN: 22632-06-0
- Product Code: starshine_CAS22632-06-0
- Purity/Analytical method: >99.0%
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