CAS RN: 130825-13-7
3,6-Dichloro-4-iodopyridazine
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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
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 130825-13-7
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
≥95% |
2
In Stock
|
Shanghai |
Inquiry |
| 0.25g |
≥95% |
2
In Stock
|
Hong Kong |
Inquiry |
| 1g |
≥95% |
2
In Stock
|
Beijing |
Inquiry |
| 5g |
≥95% |
0
Out of Stock
|
Shanghai |
Inquiry |
130825-13-7 / 3,6-dichloro-4-iodopyridazine
Standard CAS: 130825-13-7
Multi CAS: No
Basic Information
CAS
130825-13-7
Multi CAS
No
Molecular Formula
C4HCl2IN2
Molecular Weight
274.870000
Exact Mass
273.856150
SMILES
C1=C(C(=NN=C1Cl)Cl)I
InChI
InChI=1S/C4HCl2IN2/c5-3-1-2(7)4(6)9-8-3/h1H
InChIKey
DOZGQZSLDJZZMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
44.77
TPSA
25.78
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.4
Consensus LogP
2.3
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.7
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