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CAS 93758-44-2 1-Methyl-2,4-dioxo-3-piperidinecarboxylic acid ethyl ester molecular structure lightbox
CAS RN: 93758-44-2

1-Methyl-2,4-dioxo-3-piperidinecarboxylic acid ethyl ester

  • Product code: SSC-208205
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 93758-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 3 In Stock Shenzhen Inquiry

93758-44-2 / ethyl 1-methyl-2,4-dioxopiperidine-3-carboxylate

Standard CAS: 93758-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
93758-44-2
Multi CAS
No
Molecular Formula
C9H13NO4
Molecular Weight
199.200000
Exact Mass
199.084458
InChI
InChI=1S/C9H13NO4/c1-3-14-9(13)7-6(11)4-5-10(2)8(7)12/h7H,3-5H2,1-2H3
InChIKey
BCHJEQRJQJAXLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
47.38
TPSA
63.68

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.35
XLogP3
-0.1
Consensus LogP
-0.28
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.22

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
2

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