CAS 91544-03-5 1-ISOQUINOLIN-3-YL-ETHANONE molecular structure

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CAS RN: 91544-03-5

1-ISOQUINOLIN-3-YL-ETHANONE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250501	1g	In stock	Inquiry
Batchno.20250114	250mg	In stock	Inquiry
Batchno.20250203	50mg	In stock	Inquiry

Product code: SSC-204792

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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: 2
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 91544-03-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>97%	1 In Stock	Shanghai	Inquiry
0.25g	>97%	1 In Stock	Shanghai	Inquiry
1g	>97%	0 Out of Stock	Hong Kong	Inquiry

91544-03-5 / 1-isoquinolin-3-ylethanone

Standard CAS: 91544-03-5 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

91544-03-5

Multi CAS

Yes

Molecular Formula

C11H9NO

Molecular Weight

171.190000

Exact Mass

171.068414

InChI

InChI=1S/C11H9NO/c1-8(13)11-6-9-4-2-3-5-10(9)7-12-11/h2-7H,1H3

InChIKey

NLMXNLJJYMMQIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.09

Rotatable bonds

H-bond acceptors

Molar refractivity

51.75

TPSA

29.96

LogP / Solubility

WLOGP

2.44

MLOGP

2.14

XLogP3

2.1

Consensus LogP

2.23

Log S (ESOL)

-2.94

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.72

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.92

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.03

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 91544-03-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 91544-03-5 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.