≥95% 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 | CC(C)OC1=CC=C(C=C1)C2=NC3=C(C(=N2)OC4CC(N(C4)C(=O)OC(C)(C)C)C(=O)O)OC5=CC=CC=C53 |
|---|---|
| IUPAC Name | (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-(4-propan-2-yloxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy]pyrrolidine-2-carboxylic acid |
| InChIKey | MMTXNFCOCXSDOW-CTNGQTDRSA-N |
| INCHI | 1S/C29H31N3O7/c1-16(2)36-18-12-10-17(11-13-18)25-30-23-20-8-6-7-9-22(20)38-24(23)26(31-25)37-19-14-21(27(33)34)32(15-19)28(35)39-29(3,4)5/h6-13,16,19,21H,14-15H2,1-5H3,(H,33,34)/t19-,21+/m1/s1 |
| Isómeros SMILES | CC(C)OC1=CC=C(C=C1)C2=NC3=C(C(=N2)O[C@@H]4C[C@H](N(C4)C(=O)OC(C)(C)C)C(=O)O)OC5=CC=CC=C53 |
| PubChem CID | 58360029 |
| Peso molecular | 533.6 |
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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Proline and derivatives |
| Alternative Parents | Benzofurans Pyrrolidine carboxylic acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Carbamate esters Furans Heteroaromatic compounds Amino acids Tertiary amines Azacyclic compounds Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Proline or derivatives - Benzofuran - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Carbamic acid ester - Pyrrolidine - Amino acid - Tertiary amine - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Peso molecular | 533.600 g/mol |
|---|---|
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 533.216 Da |
| Monoisotopic Mass | 533.216 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 871.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![(2S,4R)-1-(tert-Butoxycarbonyl)-4-((2-(4-isopropoxyphenyl)benzofuro[3,2-d]pyrimidin-4-yl)oxy)pyrrolidine-2-carboxylic acid - ≥95% , CAS No.1315326-78-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)