≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3CCN(CC3)C |
|---|---|
| IUPAC Name | ethyl 2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-phenylthiophene-3-carboxylate |
| InChIKey | FSEMDLVNGCNLCZ-UHFFFAOYSA-N |
| INCHI | 1S/C21H27N3O3S/c1-3-27-21(26)19-17(16-7-5-4-6-8-16)15-28-20(19)22-18(25)9-10-24-13-11-23(2)12-14-24/h4-8,15H,3,9-14H2,1-2H3,(H,22,25) |
| Peso molecular | 401.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | Thiophene carboxylic acids and derivatives N-arylamides N-methylpiperazines Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Beta amino acid or derivatives - Thiophene carboxylic acid or derivatives - N-arylamide - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
| Peso molecular | 401.500 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 401.177 Da |
| Monoisotopic Mass | 401.177 Da |
| Topological Polar Surface Area | 90.100 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 519.000 |
| 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 |
![Ethyl 2-[3-(4-methylpiperazin-1-yl)propanamido]-4-phenylthiophene-3-carboxylate - ≥98% , CAS No.381687-59-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)