CAS RN: 61337-67-5
Mirtazapine
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS61337-67-5
- Purity/Analytical Methods: >99.0%
61337-67-5 / 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
Basic Information
CAS
61337-67-5
Multi CAS
Yes
Molecular Formula
C17H19N3
Molecular Weight
265.350000
Exact Mass
265.157898
InChI
InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
InChIKey
RONZAEMNMFQXRA-UHFFFAOYSA-N
Physical Properties
Melting Point
114-116 °C
114 - 116 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.35
H-bond acceptors
3
Molar refractivity
81.07
TPSA
19.37
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
3.3
Consensus LogP
2.66
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-2.58
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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