CAS RN: 479628-47-2
3-chloro-6-(1-ethoxyethenyl)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.20260519 | 2g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS479628-47-2
- Purity/Analytical Methods: >99.0%
479628-47-2 / 3-chloro-6-(1-ethoxyethenyl)pyridazine
Basic Information
CAS
479628-47-2
Multi CAS
No
Molecular Formula
C8H9CLN2O
Molecular Weight
184.620000
Exact Mass
184.040341
InChI
InChI=1S/C8H9ClN2O/c1-3-12-6(2)7-4-5-8(9)11-10-7/h4-5H,2-3H2,1H3
InChIKey
PUIMNZWLBCNVQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
47.7
TPSA
35.01
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
1.7
Consensus LogP
1.91
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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