CAS RN: 2245238-80-4
4,6-Dichloro-3-pyridazinecarboxylic acid, lithium salt (1:1)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251205 | 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS2245238-80-4
- Purity/Analytical Methods: >99.0%
2245238-80-4 / lithium;4,6-dichloropyridazine-3-carboxylic acid;hydride
Basic Information
CAS
2245238-80-4
Multi CAS
No
Molecular Formula
C5H3Cl2LiN2O2
Molecular Weight
201.000000
Exact Mass
199.973161
SMILES
[H-].[Li+].C1=C(C(=NN=C1Cl)C(=O)O)Cl
InChI
InChI=1S/C5H2Cl2N2O2.Li/c6-2-1-3(7)8-9-4(2)5(10)11;/h1H,(H,10,11);/q;+1/p-1
InChIKey
DAHURLFXBYFSFD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.12
TPSA
63.08
LogP / Solubility
WLOGP
-1.4
MLOGP
-1.23
XLogP3
-1.4
Consensus LogP
-1.34
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.08
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)
-4.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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