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CAS 56074-21-6 tert-Butyl 2,6-dioxomorpholine-4-carboxylate molecular structure lightbox
CAS RN: 56074-21-6

tert-Butyl 2,6-dioxomorpholine-4-carboxylate

  • Product code: SSC-164035
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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: ≥97%
  • 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 56074-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

56074-21-6 / tert-butyl 2,6-dioxomorpholine-4-carboxylate

Standard CAS: 56074-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56074-21-6
Multi CAS
No
Molecular Formula
C9H13NO5
Molecular Weight
215.200000
Exact Mass
215.079373
InChI
InChI=1S/C9H13NO5/c1-9(2,3)15-8(13)10-4-6(11)14-7(12)5-10/h4-5H2,1-3H3
InChIKey
XNOCWDLRABXTAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.91
TPSA
72.91

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
XLogP3
0.6
Consensus LogP
0.39
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.81

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
1.5

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