CAS RN: 1289386-87-3
3-Chloro-6-ethoxymethyl-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.20260301 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1289386-87-3
- Purity/Analytical Methods: >99.0%
1289386-87-3 / 3-chloro-6-(ethoxymethyl)pyridazine
Basic Information
CAS
1289386-87-3
Multi CAS
No
Molecular Formula
C7H9ClN2O
Molecular Weight
172.610000
Exact Mass
172.040341
SMILES
CCOCC1=NN=C(C=C1)Cl
InChI
InChI=1S/C7H9ClN2O/c1-2-11-5-6-3-4-7(8)10-9-6/h3-4H,2,5H2,1H3
InChIKey
NDYCEDILVIMFJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
42.37
TPSA
35.01
LogP / Solubility
WLOGP
1.67
MLOGP
1.46
XLogP3
0.9
Consensus LogP
1.34
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.59
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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