≥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.
| Canonical Smiles | COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC)CC3=CN=CC=C3 |
|---|---|
| IUPAC Name | methyl 4-[[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzoate |
| InChIKey | SJGWWYLTWATUEV-UHFFFAOYSA-N |
| INCHI | 1S/C22H22N2O5S/c1-28-20-9-11-21(12-10-20)30(26,27)24(16-18-4-3-13-23-14-18)15-17-5-7-19(8-6-17)22(25)29-2/h3-14H,15-16H2,1-2H3 |
| Molecular Weight | 426.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Pyridines and derivatives Organosulfonamides Aminosulfonyl compounds Methyl esters Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoate ester - Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - Alkyl aryl ether - Pyridine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Methyl ester - Aminosulfonyl compound - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Molecular Weight | 426.500 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 426.125 Da |
| Monoisotopic Mass | 426.125 Da |
| Topological Polar Surface Area | 94.200 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 634.000 |
| 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 |
![methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate - ≥95% , CAS No.1000931-00-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)