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CAS 357336-74-4 Seletracetam molecular structure lightbox
CAS RN: 357336-74-4

Seletracetam

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  • Product code: starshine_CAS357336-74-4
  • Purity/Analytical Methods: >99.0%
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357336-74-4 / 2-[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanamide

Standard CAS: 357336-74-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
357336-74-4
Multi CAS
Yes
Molecular Formula
C10F2H14N2O2
Molecular Weight
232.230000
Exact Mass
232.102334
InChI
InChI=1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1
InChIKey
ANWPENAPCIFDSZ-RQJHMYQMSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.39
TPSA
63.4

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
0.3
Consensus LogP
0.65
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.51

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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