CAS RN: 25905-77-5
MINAPRINE DIHYDROCHLORIDE
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS25905-77-5
- Purity/Analytical Methods: >99.0%
25905-77-5 / 4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
Basic Information
CAS
25905-77-5
Multi CAS
No
Molecular Formula
C17H22N4O
Molecular Weight
298.400000
Exact Mass
298.179361
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
InChIKey
LDMWSLGGVTVJPG-UHFFFAOYSA-N
Physical Properties
Melting Point
122 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
87.95
TPSA
50.28
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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