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CAS 17796-61-1 4-acetyl-2-Piperazinone molecular structure lightbox
CAS RN: 17796-61-1

4-acetyl-2-Piperazinone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-077844
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17796-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

17796-61-1 / 4-acetylpiperazin-2-one

Standard CAS: 17796-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17796-61-1
Multi CAS
No
Molecular Formula
C6H10N2O2
Molecular Weight
142.160000
Exact Mass
142.074228
SMILES
CC(=O)N1CCNC(=O)C1
InChI
InChI=1S/C6H10N2O2/c1-5(9)8-3-2-7-6(10)4-8/h2-4H2,1H3,(H,7,10)
InChIKey
ISNPMTVERREURB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.26
TPSA
49.41

LogP / Solubility

WLOGP
-1.04
MLOGP
-0.92
XLogP3
-1.2
Consensus LogP
-1.05
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.28
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32

Drug-likeness / Medicinal Chemistry

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

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