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CAS 476373-84-9 1-(ETHANESULFONYL)PIPERIDIN-4-ONE molecular structure lightbox
CAS RN: 476373-84-9

1-(ETHANESULFONYL)PIPERIDIN-4-ONE

  • Product code: SSC-154593
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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 476373-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

476373-84-9 / 1-ethylsulfonylpiperidin-4-one

Standard CAS: 476373-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
476373-84-9
Multi CAS
No
Molecular Formula
C7H13NO3S
Molecular Weight
191.250000
Exact Mass
191.061614
InChI
InChI=1S/C7H13NO3S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H2,1H3
InChIKey
SRCGRZUZEHMMRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.27
TPSA
54.45

LogP / Solubility

XLogP3
-0.7
Consensus LogP
-0.23
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-3.89

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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