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CAS 52203-73-3 4-(3,5-dioxo-1,2,4-triazolidin-4-yl)benzoic acid molecular structure lightbox
CAS RN: 52203-73-3

4-(3,5-dioxo-1,2,4-triazolidin-4-yl)benzoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-159305
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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 52203-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

52203-73-3 / 4-(3,5-dioxo-1,2,4-triazolidin-4-yl)benzoic acid

Standard CAS: 52203-73-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52203-73-3
Multi CAS
Yes
Molecular Formula
C9H7N3O4
Molecular Weight
221.170000
Exact Mass
221.043656
InChI
InChI=1S/C9H7N3O4/c13-7(14)5-1-3-6(4-2-5)12-8(15)10-11-9(12)16/h1-4H,(H,10,15)(H,11,16)(H,13,14)
InChIKey
ZLBYKGYCWFRLGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
53.97
TPSA
107.95

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.39
XLogP3
0.2
Consensus LogP
-0.21
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.39

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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