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CAS 21576-27-2 Ethyl 1-Methyl-2-oxopiperidine-3-carboxylate molecular structure lightbox
CAS RN: 21576-27-2

Ethyl 1-Methyl-2-oxopiperidine-3-carboxylate

  • Product code: SSC-103407
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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: 0.25g, 1g, 5g
  • 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 21576-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

21576-27-2 / ethyl 1-methyl-2-oxopiperidine-3-carboxylate

Standard CAS: 21576-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21576-27-2
Multi CAS
No
Molecular Formula
C9H15NO3
Molecular Weight
185.220000
Exact Mass
185.105193
SMILES
CCOC(=O)C1CCCN(C1=O)C
InChI
InChI=1S/C9H15NO3/c1-3-13-9(12)7-5-4-6-10(2)8(7)11/h7H,3-6H2,1-2H3
InChIKey
RCFIDKPBGWQLTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.99
TPSA
46.61

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
0.6
Consensus LogP
0.46
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.55

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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