Docosanedioic acid

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Molecular Formula:

C22H42O4

Molecular Weight:

370.57

CAS Number:

505-56-6

Catalog Number:

B0001-373655

Catalog Number	Size	Price	Stock	Quantity
B0001-373655	5 g	$629	In stock

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Product Information

Molecular Formula:

C22H42O4

Molecular Weight:

370.57

Description

Behenic acid, or docosanedioic acid, a saturated fatty acid, is an effective emollient in the cosmetics industry due to its remarkable moisturizing properties. Behenic acid's therapeutic potential is another aspect of interest, as it has been researched for the treatment of various maladies, including multiple sclerosis and Parkinson's disease. Moreover, it is demonstrated to have a positive impact on chondrogenesis, which is vital for the formation of cartilage tissue due to its exceptional proliferative force. It is a non-cleavable ADC linker and also an alkyl chain-based PROTAC linker.

Synonyms

Felogenic acid; Phellogenic acid; 1,22-Docosanedioic acid; 1,20-Eicosanedicarboxylic acid; Docosan-1,22-dioic acid

IUPAC Name

docosanedioic acid

Canonical SMILES

C(CCCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O

InChI

InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)

InChI Key

DGXRZJSPDXZJFG-UHFFFAOYSA-N

Boiling Point

527ºC at 760 mmHg

Melting Point

130 - 131ºC

Flash Point

Not applicable

Purity

95%

Density

0.972 g/cm3

Appearance

White solid.

Storage

2-8ºC

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

8.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

370.30830982 g/mol

Monoisotopic Mass

370.30830982 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

296

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Docosanedioic acid

Product Information

Safety Information

Computed Properties

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