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CAS 50446-44-1 1,3,5-Tris(4-carboxyphenyl)benzene molecular structure lightbox
CAS RN: 50446-44-1

1,3,5-Tris(4-carboxyphenyl)benzene

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 100g In stock Shanghai Inquiry
Batchno.20260701 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250706 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260524 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251214 500g Out of stock Inquiry
Batchno.20250904 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-157000
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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: 1g, 10g, 5g, 25g, 0.25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 50446-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
10g ≥95% 4 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
25g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

50446-44-1 / 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid

Standard CAS: 50446-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50446-44-1
Multi CAS
No
Molecular Formula
C27H18O6
Molecular Weight
438.400000
Exact Mass
438.110338
InChI
InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)
InChIKey
SATWKVZGMWCXOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
123.63
TPSA
111.9

LogP / Solubility

WLOGP
5.78
MLOGP
5.12
XLogP3
5.4
Consensus LogP
5.43
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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