CAS 22821-77-8 4-(METHYLSULFONYL)BENZYL ALCOHOL molecular structure

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CAS RN: 22821-77-8

4-(METHYLSULFONYL)BENZYL ALCOHOL

Product code: SSC-111081

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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
Available purity: >97%
Inventory rows with stock: 4
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 22821-77-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	>97%	4 In Stock	Beijing	Inquiry
5g	>97%	3 In Stock	Hong Kong	Inquiry
10g	>97%	1 In Stock	Beijing	Inquiry
25g	>97%	1 In Stock	Shenzhen	Inquiry
100g	>97%	0 Out of Stock	Shenzhen	Inquiry

22821-77-8 / 2,4-dimethylbenzenesulfonic acid

Standard CAS: 22821-77-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

22821-77-8

Multi CAS

Molecular Formula

C8H10O3S

Molecular Weight

186.230000

Exact Mass

186.035065

SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C

InChI

InChI=1S/C8H10O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3

InChIKey

LUECCFBGAJOLOX-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

45.73

TPSA

54.37

LogP / Solubility

WLOGP

1.55

MLOGP

1.36

XLogP3

1.4

Consensus LogP

1.44

Log S (ESOL)

-2.28

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.21

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.28

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)

-2.76

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 22821-77-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 22821-77-8 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.