CAS RN: 1346697-90-2
5-(2-methoxyethoxy)pyridazin-3(2H)-one
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS1346697-90-2
- Purity/Analytical Methods: >99.0%
1346697-90-2 / 4-(2-methoxyethoxy)-1H-pyridazin-6-one
Basic Information
CAS
1346697-90-2
Multi CAS
No
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
SMILES
COCCOC1=CC(=O)NN=C1
InChI
InChI=1S/C7H10N2O3/c1-11-2-3-12-6-4-7(10)9-8-5-6/h4-5H,2-3H2,1H3,(H,9,10)
InChIKey
JYXHGLDFMRHTKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.23
TPSA
64.21
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.18
XLogP3
-0.7
Consensus LogP
-0.36
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-3.9
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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