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CAS 957042-21-6 5-(3-METHOXYPHENYL)-5-METHYLIMIDAZOLIDINE-2,4-DIONE molecular structure lightbox
CAS RN: 957042-21-6

5-(3-METHOXYPHENYL)-5-METHYLIMIDAZOLIDINE-2,4-DIONE

  • Product code: SSC-211285
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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 957042-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

957042-21-6 / 5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione

Standard CAS: 957042-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
957042-21-6
Multi CAS
No
Molecular Formula
C11H12N2O3
Molecular Weight
220.220000
Exact Mass
220.084792
InChI
InChI=1S/C11H12N2O3/c1-11(9(14)12-10(15)13-11)7-4-3-5-8(6-7)16-2/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKey
NNVHPONDRXEYJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.02
TPSA
67.43

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
1
Consensus LogP
0.8
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-3.53

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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