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CAS 885272-65-1 N-Boc-2-(2-Oxo-ethyl)-morpholine molecular structure lightbox
CAS RN: 885272-65-1

N-Boc-2-(2-Oxo-ethyl)-morpholine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS885272-65-1
  • Purity/Analytical Methods: >99.0%
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885272-65-1 / tert-butyl (2R)-2-(2-oxoethyl)morpholine-4-carboxylate

Standard CAS: 885272-65-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885272-65-1
Multi CAS
Yes
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-5-7-15-9(8-12)4-6-13/h6,9H,4-5,7-8H2,1-3H3
InChIKey
XEPDBSLMMIBFBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.23
TPSA
55.84

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
0.2
Consensus LogP
0.83
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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