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CAS 6531-31-3 4-methylimidazolidin-2-one molecular structure lightbox
CAS RN: 6531-31-3

4-methylimidazolidin-2-one

  • Product code: SSC-174971
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6531-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry

6531-31-3 / 4-methylimidazolidin-2-one

Standard CAS: 6531-31-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6531-31-3
Multi CAS
Yes
Molecular Formula
C4H8N2O
Molecular Weight
100.120000
Exact Mass
100.063663
InChI
InChI=1S/C4H8N2O/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)
InChIKey
DWEQVNFWAKJCEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
H-bond acceptors
1
H-bond donors
2
Molar refractivity
26
TPSA
41.13

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.29
XLogP3
-0.4
Consensus LogP
-0.33
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
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)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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