Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Acetohexamide may be used as a reference standard for the determination of acetohexamide in presence of 1-methylnicotinamide reagent in plasma sample and tablet formulations by spectrofluorimetry method.
| ALogP | 2.4 |
|---|
| Pubchem Sid | 504750519 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750519 |
| Canonical Smiles | CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2 |
| IUPAC Name | 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea |
| InChIKey | VGZSUPCWNCWDAN-UHFFFAOYSA-N |
| INCHI | 1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19) |
| Isomeric SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2 |
| Molecular Weight | 324.40 |
| Reaxy-Rn | 2225115 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2225115&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Acetophenones Benzoyl derivatives Aryl alkyl ketones Sulfonylureas Organosulfonic acids and derivatives Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzenesulfonamide - Acetophenone - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Sulfonylurea - Benzenoid - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | N-sulfonylurea - acetophenones |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 16, 2025 | A344134 | |
| Certificate of Analysis | Sep 16, 2025 | A344134 | |
| Certificate of Analysis | Sep 09, 2025 | A344134 | |
| Certificate of Analysis | Sep 30, 2022 | A344134 | |
| Certificate of Analysis | Sep 30, 2022 | A344134 |
| Solubility | Soluble in DMSO: ~45 mg/mL: water: insoluble |
|---|---|
| Melt Point(°C) | 185-186° C |
| Molecular Weight | 324.400 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 324.114 Da |
| Monoisotopic Mass | 324.114 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 498.000 |
| 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 |
| 1. Zixian He, Zhiwei Liu, Haihuan Xie, Pengjie Luo, Xiangmei Li. (2023) An Ultrasensitive Lateral Flow Immunoassay Based on Metal-Organic Framework-Decorated Polydopamine for Multiple Sulfonylureas Adulteration in Functional Foods. Foods, 12 (3): (539). [PMID:36766067] [10.3390/foods12030539] |
| 2. Haihuan Xie, Yingying Li, Jin Wang, Yi Lei, Anastasios Koidis, Xiangmei Li, Xing Shen, Zhenlin Xu, Hongtao Lei. (2021) Broad-specific immunochromatography for simultaneous detection of various sulfonylureas in adulterated multi-herbal tea. FOOD CHEMISTRY, [PMID:34536782] [10.1016/j.foodchem.2021.131055] |
| 3. Xiaoting Yu, Tao Zhou, Kangliang Pan, Michelle Huiying Fan, Xinfu Yan, Xin-An Huang, Huiling Zhang, Xing Shen, Haihuan Xie, Yong-Gui Gao, Hongtao Lei. (2025) Structure Profiling of Broad-Specificity Immunoassays: Multitarget Recognition for Sulfonylurea Adulteration in Food. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:40173361] [10.1021/acs.jafc.5c00655] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →