≥99% 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 | CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOC2=NC=C(C=C2)/C=C/C3=CC=C(C=C3)N(C)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | 2-[2-[2-[5-[(E)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]pyridin-2-yl]oxyethoxy]ethoxy]ethyl 4-methylbenzenesulfonate |
| InChIKey | MDBUGPWBKWJULZ-CMDGGOBGSA-N |
| INCHI | 1S/C32H40N2O8S/c1-25-6-15-29(16-7-25)43(36,37)41-23-21-39-19-18-38-20-22-40-30-17-12-27(24-33-30)9-8-26-10-13-28(14-11-26)34(5)31(35)42-32(2,3)4/h6-17,24H,18-23H2,1-5H3/b9-8+ |
| Molecular Weight | 612.700 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylcarbamic acid esters |
| Alternative Parents | p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Styrenes Alkyl aryl ethers Organosulfonic acid esters Pyridines and derivatives Heteroaromatic compounds Carbamate esters Sulfonyls Tertiary amines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | P-methylbenzenesulfonate - Phenylcarbamic acid ester - Benzenesulfonate ester - Benzenesulfonate - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Styrene - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Pyridine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids. |
| External Descriptors | Not available |
| Molecular Weight | 612.700 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 17 |
| Exact Mass | 612.251 Da |
| Monoisotopic Mass | 612.251 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 932.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
