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: 0.25g, 5g, 1g, 10g, 25g
- Available purity: >97%, >96%
- Inventory rows with stock: 9
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 4 In Stock | Beijing | Inquiry |
| 10g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 10g | >96% | 2 In Stock | Shanghai | Inquiry |
| 25g | >96% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 2 In Stock | Beijing | Inquiry |
| 0.25g | >96% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >96% | 1 In Stock | Shanghai | Inquiry |
| 5g | >96% | 0 Out of Stock | Shenzhen | Inquiry |
20698-04-8 / 3,6-diiodopyridazine
Basic Information
CAS
20698-04-8
Multi CAS
No
Molecular Formula
C4H2I2N2
Molecular Weight
331.880000
Exact Mass
331.830740
SMILES
C1=CC(=NN=C1I)I
InChI
InChI=1S/C4H2I2N2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKey
GCLHXKPPHRIJOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
47.47
TPSA
25.78
LogP / Solubility
WLOGP
1.69
MLOGP
1.5
XLogP3
1.2
Consensus LogP
1.46
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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