≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Selective HDAC1 substrate (over HDAC6, class I over class II).
| パブケム・シド | 528765551 |
|---|---|
| カノニカル・スマイル | CCC(=O)NCCCCC(C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OCC3=CC=CC=C3 |
| IUPAC Name | benzyl N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-6-(propanoylamino)hexan-2-yl]carbamate |
| InChIKey | BFDGUJKFQRJHJM-QFIPXVFZSA-N |
| INCHI | 1S/C27H31N3O6/c1-3-24(31)28-14-8-7-11-22(30-27(34)35-17-19-9-5-4-6-10-19)26(33)29-20-12-13-21-18(2)15-25(32)36-23(21)16-20/h4-6,9-10,12-13,15-16,22H,3,7-8,11,14,17H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)/t22-/m0/s1 |
| 異性体SMILES | CCC(=O)NCCCC[C@@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OCC3=CC=CC=C3 |
| 分子量 | 493.56 |
| Reaxy-Rn | 38083301 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38083301&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 acids and derivatives |
| 分類 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Coumarins and derivatives Benzyloxycarbonyls 1-benzopyrans N-arylamides Pyranones and derivatives Fatty amides Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Lactones Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid amide - Coumarin - Benzopyran - Benzyloxycarbonyl - 1-benzopyran - N-arylamide - Pyranone - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Carbamic acid ester - Carboxamide group - Lactone - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 G2402392 | Certificate of Analysis | Jun 22, 2024 | M352358 |
| G2402422 | Certificate of Analysis | Jun 22, 2024 | M352358 |
| G2402430 | Certificate of Analysis | Jun 22, 2024 | M352358 |
| G2402431 | Certificate of Analysis | Jun 22, 2024 | M352358 |
| G2402432 | Certificate of Analysis | Jun 22, 2024 | M352358 |
| G2402433 | Certificate of Analysis | Jun 22, 2024 | M352358 |
| 溶解度 | Soluble in DMSO: 21 mg/mL, |
|---|---|
| 感度 | Moisture sensitive; Light sensitive |
| 分子量 | 493.600 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 493.221 Da |
| Monoisotopic Mass | 493.221 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 807.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
