≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(CCC(=O)O)C(F)(F)F |
|---|---|
| IUPAC Name | 5,5,5-trifluoro-4-[[[4-(methoxycarbonylamino)phenyl]sulfonylamino]methyl]pentanoic acid |
| InChIKey | KUDMRWQDGRNBIN-UHFFFAOYSA-N |
| INCHI | 1S/C14H17F3N2O6S/c1-25-13(22)19-10-3-5-11(6-4-10)26(23,24)18-8-9(14(15,16)17)2-7-12(20)21/h3-6,9,18H,2,7-8H2,1H3,(H,19,22)(H,20,21) |
| Molecular Weight | 398.360 |
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 |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Delta amino acids and derivatives |
| Alternative Parents | Phenylcarbamic acid esters Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Carbamate esters Organic carbonic acids and derivatives Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Delta amino acid or derivatives - Phenylcarbamic acid ester - Benzenesulfonamide - Benzenesulfonyl group - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organosulfur compound - Alkyl halide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 398.360 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 398.076 Da |
| Monoisotopic Mass | 398.076 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 582.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5,5,5-Trifluoro-4-({4-[(methoxycarbonyl)amino]benzenesulfonamido}methyl)pentanoic acid - ≥98% CAS No(300713-88-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/9/T994430.jpg)