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CAS 99539-36-3 1-Ethylpiperidine-2,4-dione molecular structure lightbox
CAS RN: 99539-36-3

1-Ethylpiperidine-2,4-dione

  • Product code: SSC-213230
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 99539-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

99539-36-3 / 1-ethylpiperidine-2,4-dione

Standard CAS: 99539-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99539-36-3
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
InChI
InChI=1S/C7H11NO2/c1-2-8-4-3-6(9)5-7(8)10/h2-5H2,1H3
InChIKey
YSBKSRFISPYBQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.5
TPSA
37.38

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
XLogP3
-0.3
Consensus LogP
0.02
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.44

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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