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VULM 1457 - 98%, high purity , CAS No.228544-65-8

COA

Grade & Purity:

≥98%

Cas Number: 228544-65-8
Molecular Weight: 449.57
PubChem CID: 9933427

In stock

Item Number

V286658

Grouped product items
SKU	Size	Availability	Price
V286658-5mg	5mg	3	$127.90
V286658-10mg	10mg	3	$197.90
V286658-25mg	25mg	3	$445.90
V286658-50mg	50mg	3	$692.90
V286658-100mg	100mg	3	$1,088.90

ACAT inhibitor.

View related series

Acyltransferase (66) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	N-[2,6-Di(propan-2-yl)phenyl]-N'-{4-[(4-nitrophenyl)sulfanyl]phenyl}urea \| 1-(2,6-Diisopropylphenyl)-3-(4-((4-nitrophenyl)thio)phenyl)urea \| 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(4-nitrophenyl)sulfanylphenyl]urea \| MS-28146 \| SCHEMBL693083 \| DTXSID90433020
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Acyl-CoA: cholesterol acyltransferase (ACAT) inhibitor. Decreases cholesterol levels in the plasma and liver of diabetic-hypercholesterolemic rats.
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylthioethers
Alternative Parents	N-phenylureas Cumenes Phenylpropanes Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Ureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diarylthioether - N-phenylurea - Cumene - Nitrobenzene - Phenylpropane - Thiophenol ether - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Urea - Sulfenyl compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-[2,6-di(propan-2-yl)phenyl]-3-[4-(4-nitrophenyl)sulfanylphenyl]urea
INCHI	InChI=1S/C25H27N3O3S/c1-16(2)22-6-5-7-23(17(3)4)24(22)27-25(29)26-18-8-12-20(13-9-18)32-21-14-10-19(11-15-21)28(30)31/h5-17H,1-4H3,(H2,26,27,29)
InChIKey	XFFITGBWVLQNCD-UHFFFAOYSA-N
Smiles	CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]
Isomeric SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]
PubChem CID	9933427
Molecular Weight	449.57

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
C2218542	Certificate of Analysis	Jan 15, 2025	V286658
C2218596	Certificate of Analysis	Jan 15, 2025	V286658
C2218598	Certificate of Analysis	Jan 15, 2025	V286658
C2218560	Certificate of Analysis	Jan 15, 2025	V286658
C2218545	Certificate of Analysis	Jan 15, 2025	V286658

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 44.96, Max Conc. mM: 100
Molecular Weight	449.600 g/mol
XLogP3	6.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	449.177 Da
Monoisotopic Mass	449.177 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	592.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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