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CAS 1418117-73-3 Ethyl 3-(4-Methyl-2,5-dioxo-4-imidazolidinyl)propanoate molecular structure lightbox
CAS RN: 1418117-73-3

Ethyl 3-(4-Methyl-2,5-dioxo-4-imidazolidinyl)propanoate

  • Product code: SSC-052492
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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 1418117-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1418117-73-3 / ethyl 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanoate

Standard CAS: 1418117-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1418117-73-3
Multi CAS
No
Molecular Formula
C9H14N2O4
Molecular Weight
214.220000
Exact Mass
214.095357
SMILES
CCOC(=O)CCC1(C(=O)NC(=O)N1)C
InChI
InChI=1S/C9H14N2O4/c1-3-15-6(12)4-5-9(2)7(13)10-8(14)11-9/h3-5H2,1-2H3,(H2,10,11,13,14)
InChIKey
AOGHVJBCZKKSHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.95
TPSA
84.5

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.06
XLogP3
-0.3
Consensus LogP
-0.14
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.08

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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