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CAS 20721-78-2 4-methyl-3-Morpholinone molecular structure lightbox
CAS RN: 20721-78-2

4-methyl-3-Morpholinone

  • Product code: SSC-097572
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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 20721-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

20721-78-2 / 4-methylmorpholin-3-one

Standard CAS: 20721-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20721-78-2
Multi CAS
No
Molecular Formula
C5H9NO2
Molecular Weight
115.130000
Exact Mass
115.063329
SMILES
CN1CCOCC1=O
InChI
InChI=1S/C5H9NO2/c1-6-2-3-8-4-5(6)7/h2-4H2,1H3
InChIKey
FGQBGDBLZZPFCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
28.46
TPSA
29.54

LogP / Solubility

WLOGP
-0.53
MLOGP
-0.47
XLogP3
-0.6
Consensus LogP
-0.53
Log S (ESOL)
-0.22
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.03
Class (SILICOS-IT)
Highly 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)
-3.8

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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