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CAS 5638-70-0 [1,3]OXAZINANE-2,6-DIONE molecular structure lightbox
CAS RN: 5638-70-0

[1,3]OXAZINANE-2,6-DIONE

  • Product code: SSC-164348
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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
  • 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 5638-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

5638-70-0 / 1,3-oxazinane-2,6-dione

Standard CAS: 5638-70-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5638-70-0
Multi CAS
Yes
Molecular Formula
C4H5NO3
Molecular Weight
115.090000
Exact Mass
115.026943
InChI
InChI=1S/C4H5NO3/c6-3-1-2-5-4(7)8-3/h1-2H2,(H,5,7)
InChIKey
SRGYIOWEOTVTRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
24.11
TPSA
55.4

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.6
Consensus LogP
-0.43
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.11
Class (SILICOS-IT)
Very 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)
-3.68

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
1.5

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