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CAS 6843-45-4 2,4-Imidazolidinedione, 3-methyl- molecular structure lightbox
CAS RN: 6843-45-4

2,4-Imidazolidinedione, 3-methyl-

  • Product code: SSC-178173
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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 6843-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6843-45-4 / 3-methylimidazolidine-2,4-dione

Standard CAS: 6843-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6843-45-4
Multi CAS
No
Molecular Formula
C4H6N2O2
Molecular Weight
114.100000
Exact Mass
114.042927
InChI
InChI=1S/C4H6N2O2/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)
InChIKey
MZQQHYDUINOMDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.17
TPSA
49.41

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.74
XLogP3
-0.9
Consensus LogP
-0.82
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.29
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.01

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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