CAS RN: 22808-29-3
4-TERT-BUTYL-3,6-DICHLOROPYRIDAZINE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-111031
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
22808-29-3 / 4-tert-butyl-3,6-dichloropyridazine
Basic Information
CAS
22808-29-3
Multi CAS
No
Molecular Formula
C8H10Cl2N2
Molecular Weight
205.080000
Exact Mass
204.022104
SMILES
CC(C)(C)C1=CC(=NN=C1Cl)Cl
InChI
InChI=1S/C8H10Cl2N2/c1-8(2,3)5-4-6(9)11-12-7(5)10/h4H,1-3H3
InChIKey
DTUZXHRABOWYAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.75
TPSA
25.78
LogP / Solubility
WLOGP
3.08
MLOGP
2.71
XLogP3
3.4
Consensus LogP
3.06
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.78
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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