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CAS 2221-13-8 3-PHENYLIMIDAZOLIDINE-2,4-DIONE molecular structure lightbox
CAS RN: 2221-13-8

3-PHENYLIMIDAZOLIDINE-2,4-DIONE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250418 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250809 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250318 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-106799
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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, 5g
  • 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 2221-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

2221-13-8 / 3-phenylimidazolidine-2,4-dione

Standard CAS: 2221-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2221-13-8
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
C1C(=O)N(C(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C9H8N2O2/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)
InChIKey
RUEGAVIENIPHGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.33
TPSA
49.41

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.8
Consensus LogP
0.73
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.27

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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