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CAS 308122-40-9 5-(1,3-BENZODIOXOL-5-YL)-5-METHYLIMIDAZOLIDINE-2,4-DIONE molecular structure lightbox
CAS RN: 308122-40-9

5-(1,3-BENZODIOXOL-5-YL)-5-METHYLIMIDAZOLIDINE-2,4-DIONE

  • Product code: SSC-135871
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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 308122-40-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

308122-40-9 / 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione

Standard CAS: 308122-40-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
308122-40-9
Multi CAS
No
Molecular Formula
C11H10N2O4
Molecular Weight
234.210000
Exact Mass
234.064057
InChI
InChI=1S/C11H10N2O4/c1-11(9(14)12-10(15)13-11)6-2-3-7-8(4-6)17-5-16-7/h2-4H,5H2,1H3,(H2,12,13,14,15)
InChIKey
PTBOGUDVMYIZLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.59
TPSA
76.66

LogP / Solubility

WLOGP
0.47
MLOGP
0.42
XLogP3
0.8
Consensus LogP
0.56
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.82

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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