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CAS 554-95-0 1,3,5-Benzenetricarboxylic Acid molecular structure lightbox
CAS RN: 554-95-0

1,3,5-Benzenetricarboxylic Acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250602 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250305 10kg In stock Shanghai Inquiry
Batchno.20250525 1kg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251214 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250301 500g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260528 5kg In stock Shanghai Inquiry
  • Product code: SSC-163298
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 554-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Hong Kong Inquiry
500g ≥98% 1 In Stock Beijing Inquiry
1000g ≥98% 0 Out of Stock Beijing Inquiry

554-95-0 / benzene-1,3,5-tricarboxylic acid

Standard CAS: 554-95-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
554-95-0
Multi CAS
Yes
Molecular Formula
C9H6O6
Molecular Weight
210.140000
Exact Mass
210.016438
InChI
InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKey
QMKYBPDZANOJGF-UHFFFAOYSA-N

Physical Properties

Physical Description
White to cream crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.32
TPSA
111.9

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
0.5
Consensus LogP
0.66
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.45

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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