CAS RN: 71037-71-3
3-Chloro-6-(1H-imidazol-1-yl)pyridazine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260227 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS71037-71-3
- Purity/Analytical Methods: >99.0%
71037-71-3 / 3-chloro-6-imidazol-1-ylpyridazine
Basic Information
CAS
71037-71-3
Multi CAS
No
Molecular Formula
C7H5CLN4
Molecular Weight
180.590000
Exact Mass
180.020274
InChI
InChI=1S/C7H5ClN4/c8-6-1-2-7(11-10-6)12-4-3-9-5-12/h1-5H
InChIKey
VAJLJRMHTTUOFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
44.16
TPSA
43.6
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
0.9
Consensus LogP
1.13
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-2.89
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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