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

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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

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
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

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

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

H-bond donors

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

P-gp substrate

Yes

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.29

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Applications of CAS 50446-44-1

This compound is commonly used in materials science and advanced materials development, metal and coordination compound chemistry, organic synthesis and chemical building blocks, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 50446-44-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Store under inert gas. Avoid: Hygroscopic. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.