CAS RN: 38957-41-4
Emorfazone
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS38957-41-4
- Purity/Analytical Methods: >99.0%
38957-41-4 / 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
Basic Information
CAS
38957-41-4
Multi CAS
Yes
Molecular Formula
C11H17N3O3
Molecular Weight
239.270000
Exact Mass
239.126991
InChI
InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3
InChIKey
URJQOOISAKEBKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
63.68
TPSA
56.59
LogP / Solubility
WLOGP
0.02
MLOGP
0.02
Consensus LogP
0.01
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-4.17
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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