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CAS 1418117-76-6 Methyl 3-(4-Methyl-2,5-dioxo-4-imidazolidinyl)propanoate molecular structure lightbox
CAS RN: 1418117-76-6

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

  • Product code: SSC-052495
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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 1418117-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1418117-76-6 / methyl 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanoate

Standard CAS: 1418117-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1418117-76-6
Multi CAS
No
Molecular Formula
C8H12N2O4
Molecular Weight
200.190000
Exact Mass
200.079707
SMILES
CC1(C(=O)NC(=O)N1)CCC(=O)OC
InChI
InChI=1S/C8H12N2O4/c1-8(4-3-5(11)14-2)6(12)9-7(13)10-8/h3-4H2,1-2H3,(H2,9,10,12,13)
InChIKey
OLWNVBMSDUOWKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.33
TPSA
84.5

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.41
XLogP3
-0.6
Consensus LogP
-0.49
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
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)
-4.27

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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