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CAS 959864-55-2 1,2,4-Triazolidine-3,5-dione, 4-(4-acetylphenyl)- molecular structure lightbox
CAS RN: 959864-55-2

1,2,4-Triazolidine-3,5-dione, 4-(4-acetylphenyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-211749
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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: 5g
  • Available purity: ＞97%
  • 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 959864-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

959864-55-2 / 4-(4-acetylphenyl)-1,2,4-triazolidine-3,5-dione

Standard CAS: 959864-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959864-55-2
Multi CAS
No
Molecular Formula
C10H9N3O3
Molecular Weight
219.200000
Exact Mass
219.064391
InChI
InChI=1S/C10H9N3O3/c1-6(14)7-2-4-8(5-3-7)13-9(15)11-12-10(13)16/h2-5H,1H3,(H,11,15)(H,12,16)
InChIKey
LKDPJIGWTPEUEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.01
TPSA
87.72

LogP / Solubility

WLOGP
0.06
MLOGP
0.05
XLogP3
0.4
Consensus LogP
0.17
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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