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CAS 357336-19-7 (4S)-BrivaracetaM molecular structure lightbox
CAS RN: 357336-19-7

(4S)-BrivaracetaM

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  • Product code: starshine_CAS357336-19-7
  • Purity/Analytical Methods: >99.0%
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357336-19-7 / 2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide

Standard CAS: 357336-19-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
357336-19-7
Multi CAS
Yes
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
InChI
InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9-/m0/s1
InChIKey
MSYKRHVOOPPJKU-IUCAKERBSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58
TPSA
63.4

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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