CAS 72000-67-0 3-bromo-1-phenyl-1H-pyrrole-2,5-dione molecular structure

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CAS RN: 72000-67-0

3-bromo-1-phenyl-1H-pyrrole-2,5-dione

Product code: SSC-181542

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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, 1g
Available purity: >97%
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 72000-67-0
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	--	2 In Stock	Shanghai	Inquiry
0.1g	>97%	2 In Stock	Shenzhen	Inquiry
0.25g	--	2 In Stock	Shanghai	Inquiry
0.25g	>97%	2 In Stock	Shenzhen	Inquiry
1g	--	2 In Stock	Hong Kong	Inquiry
1g	>97%	2 In Stock	Beijing	Inquiry

72000-67-0 / 3-bromo-1-phenylpyrrole-2,5-dione

Standard CAS: 72000-67-0 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

72000-67-0

Multi CAS

Molecular Formula

BC10H6O2Rn

Molecular Weight

252.060000

Exact Mass

250.958190

InChI

InChI=1S/C10H6BrNO2/c11-8-6-9(13)12(10(8)14)7-4-2-1-3-5-7/h1-6H

InChIKey

XPWBLMOTTABVDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

Molar refractivity

55.95

TPSA

37.38

LogP / Solubility

WLOGP

1.84

MLOGP

1.62

XLogP3

1.9

Consensus LogP

1.79

Log S (ESOL)

-2.81

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.95

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.94

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.95

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

1.5

Applications of CAS 72000-67-0

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 72000-67-0 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.