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CAS 1078153-58-8 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene molecular structure lightbox
CAS RN: 1078153-58-8

1,2,4,5-Tetrakis(4-carboxyphenyl)benzene

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260413 100mg / 250mg / 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260222 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-009186
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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: ≥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 1078153-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1078153-58-8 / 4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid

1,2,4,5-Tetrakis(4-carboxyphenyl)benzene | RefChem:410909 | 878-918-3

Standard CAS: 1078153-58-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1078153-58-8
Multi CAS
No
Molecular Formula
C34H22O8
Molecular Weight
558.500000
Exact Mass
558.131468
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O)C(=O)O
InChI
InChI=1S/C34H22O8/c35-31(36)23-9-1-19(2-10-23)27-17-29(21-5-13-25(14-6-21)33(39)40)30(22-7-15-26(16-8-22)34(41)42)18-28(27)20-3-11-24(12-4-20)32(37)38/h1-18H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChIKey
SRTQKANXPMBQCX-UHFFFAOYSA-N
Synonyms
1,2,4,5-Tetrakis(4-carboxyphenyl)benzene RefChem:410909 878-918-3 MFCD16621436 4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
30
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
156.02
TPSA
149.2

LogP / Solubility

WLOGP
7.15
MLOGP
6.33
XLogP3
6.5
Consensus LogP
6.66
Log S (ESOL)
-7.81
Class (ESOL)
Insoluble
Log S (Ali)
-9.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.05

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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