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CAS 358629-47-7 LevetiracetaM IMpurity B molecular structure lightbox
CAS RN: 358629-47-7

LevetiracetaM IMpurity B

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS358629-47-7
  • Purity/Analytical Methods: >99.0%
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358629-47-7 / (E)-2-(2-oxopyrrolidin-1-yl)but-2-enamide

Standard CAS: 358629-47-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
358629-47-7
Multi CAS
Yes
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
InChI
InChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h2H,3-5H2,1H3,(H2,9,12)/b6-2-
InChIKey
ZGHRUXLFLIMTAG-KXFIGUGUSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.9
TPSA
63.4

LogP / Solubility

MLOGP
-0.01
XLogP3
-0.4
Consensus LogP
-0.14
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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