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CAS 2479-49-4 4,4′-Carbonyldiphthalic acid molecular structure lightbox
CAS RN: 2479-49-4

4,4′-Carbonyldiphthalic acid

Product Availability

Choose a grade to view its available package options.

8 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251230 1g Out of stock Inquiry
Batchno.20250504 250mg Out of stock Inquiry
Batchno.20250823 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 100mg In stock Shanghai Inquiry
Batchno.20251020 10mg / 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei Inquiry
Batchno.20251229 1g Out of stock Inquiry
Batchno.20250829 250mg In stock Shanghai Inquiry
Batchno.20260216 50mg In stock Shanghai Inquiry
  • Product code: SSC-119884
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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: 0.25g
  • 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 2479-49-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

2479-49-4 / 4-(3,4-dicarboxybenzoyl)phthalic acid

Standard CAS: 2479-49-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2479-49-4
Multi CAS
No
Molecular Formula
C17H10O9
Molecular Weight
358.300000
Exact Mass
358.032482
SMILES
C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C17H10O9/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKey
UITKHKNFVCYWNG-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
4
Molar refractivity
84.15
TPSA
166.27

LogP / Solubility

WLOGP
1.71
MLOGP
1.52
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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