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CAS 1619991-15-9 4-(azetidine-3-carbonyl)morpholine hydrochloride molecular structure lightbox
CAS RN: 1619991-15-9

4-(azetidine-3-carbonyl)morpholine hydrochloride

  • Product code: SSC-069480
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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 1619991-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1619991-15-9 / azetidin-3-yl(morpholin-4-yl)methanone;hydrochloride

Standard CAS: 1619991-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1619991-15-9
Multi CAS
No
Molecular Formula
C8H15ClN2O2
Molecular Weight
206.670000
Exact Mass
206.082205
SMILES
C1COCCN1C(=O)C2CNC2.Cl
InChI
InChI=1S/C8H14N2O2.ClH/c11-8(7-5-9-6-7)10-1-3-12-4-2-10;/h7,9H,1-6H2;1H
InChIKey
MELSIUXXCOATIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.01
TPSA
41.57

LogP / Solubility

WLOGP
-0.51
MLOGP
-0.45
XLogP3
-0.51
Consensus LogP
-0.49
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-4.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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