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CAS 500880-58-0 DIETHYL UREIDOMALONATE molecular structure lightbox
CAS RN: 500880-58-0

DIETHYL UREIDOMALONATE

  • Product code: SSC-156452
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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 500880-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

500880-58-0 / diethyl 2-(carbamoylamino)propanedioate

Standard CAS: 500880-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
500880-58-0
Multi CAS
No
Molecular Formula
C8H14N2O5
Molecular Weight
218.210000
Exact Mass
218.090272
InChI
InChI=1S/C8H14N2O5/c1-3-14-6(11)5(10-8(9)13)7(12)15-4-2/h5H,3-4H2,1-2H3,(H3,9,10,13)
InChIKey
HHIQUVWDEJKFDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
49.77
TPSA
107.72

LogP / Solubility

WLOGP
-0.85
MLOGP
-0.75
XLogP3
-0.3
Consensus LogP
-0.63
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65

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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