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CAS 1558-58-3 (S)-6-Methylpiperazin-2-one molecular structure lightbox
CAS RN: 1558-58-3

(S)-6-Methylpiperazin-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1558-58-3
  • Purity/Analytical Methods: >99.0%
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1558-58-3 / (6S)-6-methylpiperidin-2-one

Standard CAS: 1558-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1558-58-3
Multi CAS
No
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
SMILES
C[C@H]1CCCC(=O)N1
InChI
InChI=1S/C6H11NO/c1-5-3-2-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)/t5-/m0/s1
InChIKey
XPMMAKUHNMSONL-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.46
TPSA
29.1

LogP / Solubility

WLOGP
0.68
MLOGP
0.58
XLogP3
0.4
Consensus LogP
0.55
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
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)
-2.93

Drug-likeness / Medicinal Chemistry

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

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