The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
6-Hexadecanoylamido-4-methylumbelliferone , CAS No.99422-73-8
an amido-substituted coumarin for proteomics research
Basic Description
Synonyms
N-(7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)hexadecanamide
Specifications & Purity
≥97%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
application：
6-Hexadecanoylamido-4-methylumbelliferone is an amido-substituted coumarin for proteomics research.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
7-hydroxycoumarins
Alternative Parents
1-benzopyrans N-arylamides Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Fatty amide - Fatty acyl - Pyran - Benzenoid - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
504767403
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504767403
IUPAC Name
N-(7-hydroxy-4-methyl-2-oxochromen-6-yl)hexadecanamide
INCHI
InChI=1S/C26H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-22-18-21-20(2)17-26(30)31-24(21)19-23(22)28/h17-19,28H,3-16H2,1-2H3,(H,27,29)
InChIKey
FRYZAPGXJAWDCH-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCCCCC(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)O
Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)O
Molecular Weight
429.59
Reaxy-Rn
4719002
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4719002&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO (slightly soluble); methanol (slightly soluble)
Boil Point(°C)
~608.6° C at 760 mmHg (Predicted)
Melt Point(°C)
195-197°C
Molecular Weight
429.600 g/mol
XLogP3
8.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
15
Exact Mass
429.288 Da
Monoisotopic Mass
429.288 Da
Topological Polar Surface Area
75.600 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
574.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
K2328338