CAS 5344-97-8 3,5-Dimethyl-4-nitrophenol molecular structure

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CAS RN: 5344-97-8

3,5-Dimethyl-4-nitrophenol

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250215	100g	In stock	Inquiry
Batchno.20251006	1g	In stock	Inquiry
Batchno.20251230	25g	In stock	Inquiry
Batchno.20250117	5g	In stock	Inquiry

Product code: SSC-160779

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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, 5g, 10g, 25g, 100g, 500g
Available purity: ≥97%
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 5344-97-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥97%	5 In Stock	Beijing	Inquiry
5g	≥97%	5 In Stock	Shanghai	Inquiry
10g	≥97%	5 In Stock	Shenzhen	Inquiry
25g	≥97%	5 In Stock	Shenzhen	Inquiry
100g	≥97%	1 In Stock	Hong Kong	Inquiry
500g	≥97%	0 Out of Stock	Beijing	Inquiry

5344-97-8 / 3,5-dimethyl-4-nitrophenol

Standard CAS: 5344-97-8 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

5344-97-8

Multi CAS

Yes

Molecular Formula

C8H9NO3

Molecular Weight

167.160000

Exact Mass

167.058243

InChI

InChI=1S/C8H9NO3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3

InChIKey

MMLPWOHLKRXZJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.25

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

44.24

TPSA

63.37

LogP / Solubility

WLOGP

1.92

MLOGP

1.68

XLogP3

2.1

Consensus LogP

1.9

Log S (ESOL)

-2.39

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.31

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.46

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.38

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 5344-97-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 5344-97-8 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.