CAS 53744-42-6 Bathophenanthrolinedisulfonic Acid Disodium Salt Hydrate [for Determination of Ferrous Ion] molecular structure

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CAS RN: 53744-42-6

Bathophenanthrolinedisulfonic Acid Disodium Salt Hydrate [for Determination of Ferrous Ion]

Product code: SSC-161137

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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: 0.1g, 0.25g, 5g, 10g, 25g, 1g
Available purity: ≥95%
Inventory rows with stock: 6
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 53744-42-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	5 In Stock	Shanghai	Inquiry
0.25g	≥95%	5 In Stock	Shenzhen	Inquiry
5g	≥95%	5 In Stock	Shanghai	Inquiry
10g	≥95%	5 In Stock	Hong Kong	Inquiry
25g	≥95%	5 In Stock	Hong Kong	Inquiry
1g	≥95%	1 In Stock	Beijing	Inquiry

53744-42-6 / disodium;4-[7-(4-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate

Standard CAS: 53744-42-6 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

53744-42-6

Multi CAS

Yes

Molecular Formula

C24H14N2NA2O6S2

Molecular Weight

536.500000

Exact Mass

536.008867

InChI

InChI=1S/C24H16N2O6S2.2Na/c27-33(28,29)17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(30,31)32;;/h1-14H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2

InChIKey

PCNDSIWXTYFWIA-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

Molar refractivity

123.84

TPSA

140.18

LogP / Solubility

WLOGP

-2.07

MLOGP

-1.78

XLogP3

-2.07

Consensus LogP

-1.97

Log S (ESOL)

-2.13

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.47

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-1.91

Class (SILICOS-IT)

Soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-7.46

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Applications of CAS 53744-42-6

This compound is commonly used in catalysis and inorganic chemistry research, pharmaceutical research and drug discovery, life science and biochemical research, materials science and advanced materials development, analytical chemistry and reference standard applications, 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 53744-42-6 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. 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.