CAS RN: 923035-05-6

Rivastigmine EP Impurity E

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  • Product code: starshine_CAS923035-05-6
  • Purity/Analytical Methods: >99.0%
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923035-05-6 / [3-[(1S)-1-(methylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate

Standard CAS: 923035-05-6 Multi CAS: Yes

Basic Information

CAS
923035-05-6
Multi CAS
Yes
Molecular Formula
C13H20N2O2
Molecular Weight
236.310000
Exact Mass
236.152478
InChI
InChI=1S/C13H20N2O2/c1-5-15(4)13(16)17-12-8-6-7-11(9-12)10(2)14-3/h6-10,14H,5H2,1-4H3/t10-/m0/s1
InChIKey
DKTHTUMLVSBQTJ-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.24
TPSA
41.57

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
1.8
Consensus LogP
2.12
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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