CAS 4005-49-6 N6-Benzoyladenine molecular structure

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CAS RN: 4005-49-6

N6-Benzoyladenine

Product code: SSC-147928

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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: 5g, 10g, 25g, 100g, 500g, 1000g
Available purity: ≥98%
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 4005-49-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥98%	5 In Stock	Shenzhen	Inquiry
10g	≥98%	5 In Stock	Shanghai	Inquiry
25g	≥98%	5 In Stock	Shanghai	Inquiry
100g	≥98%	5 In Stock	Shanghai	Inquiry
500g	≥98%	1 In Stock	Shenzhen	Inquiry
1000g	≥98%	1 In Stock	Hong Kong	Inquiry

4005-49-6 / N-(7H-purin-6-yl)benzamide

Standard CAS: 4005-49-6 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

4005-49-6

Multi CAS

Yes

Molecular Formula

C12H9N5O

Molecular Weight

239.230000

Exact Mass

239.080710

InChI

InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18)

InChIKey

QQJXZVKXNSFHRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

66.08

TPSA

83.56

LogP / Solubility

WLOGP

1.61

MLOGP

1.42

XLogP3

1.3

Consensus LogP

1.44

Log S (ESOL)

-2.82

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.68

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.79

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.04

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 4005-49-6

This compound is commonly used in life science and biochemical research, biochemistry and reagent applications, laboratory reagent and synthesis applications. Starshine Chemical supplies CAS 4005-49-6 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.