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CAS 53279-72-4 3-HYDROXY-2,4,6-TRIIODOBENZOIC ACID molecular structure lightbox
CAS RN: 53279-72-4

3-HYDROXY-2,4,6-TRIIODOBENZOIC ACID

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 100g In stock Inquiry
Batchno.20260303 1g In stock Inquiry
Batchno.20250531 25g In stock Inquiry
Batchno.20250301 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260515 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251014 25g In stock Shanghai Inquiry
Batchno.20260602 500g In stock Shanghai Inquiry
Batchno.20260619 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-160505
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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: 25g
  • 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 53279-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

53279-72-4 / 3-hydroxy-2,4,6-triiodobenzoic acid

Standard CAS: 53279-72-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53279-72-4
Multi CAS
Yes
Molecular Formula
C7H3I3O3
Molecular Weight
515.810000
Exact Mass
515.721600
InChI
InChI=1S/C7H3I3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)
InChIKey
GIAVHGFPMPSIFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.22
TPSA
57.53

LogP / Solubility

WLOGP
2.9
MLOGP
2.59
XLogP3
3
Consensus LogP
2.83
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.8

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
1.5

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