≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
Necrox-5 is a cell-permeable necrosis inhibitor. Primarily localizes in mitochondria and also possesses antioxidant properties. Necrox-5 selectively blocks oxidative stress-induced necrotic cell death.
| Sonrisas canónicas | CS(=O)(=O)O.CS(=O)(=O)O.C1COCCC1CNC2=CC(=CC3=C2NC(=C3)C4=CC=CC=C4)CN5CCS(=O)(=O)CC5 |
|---|---|
| IUPAC Name | 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-4-ylmethyl)-2-phenyl-1H-indol-7-amine;methanesulfonic acid |
| InChIKey | ZWWWDIWEZYRVMB-UHFFFAOYSA-N |
| INCHI | 1S/C25H31N3O3S.2CH4O3S/c29-32(30)12-8-28(9-13-32)18-20-14-22-16-23(21-4-2-1-3-5-21)27-25(22)24(15-20)26-17-19-6-10-31-11-7-19;2*1-5(2,3)4/h1-5,14-16,19,26-27H,6-13,17-18H2;2*1H3,(H,2,3,4) |
| Isómeros SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1COCCC1CNC2=CC(=CC3=C2NC(=C3)C4=CC=CC=C4)CN5CCS(=O)(=O)CC5 |
| Peso molecular | 645.81 |
| Reaxy-Rn | 36688290 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36688290&ln= |
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 | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-phenylindoles |
| Alternative Parents | Phenylpyrroles Secondary alkylarylamines Aralkylamines Thiomorpholines Oxanes Benzene and substituted derivatives Sulfones Alkanesulfonic acids Organosulfonic acids Methanesulfonates Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Not available |
| Substituents | 2-phenylindole - 2-phenylpyrrole - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Oxane - Substituted pyrrole - 1,4-thiazinane - Benzenoid - Methanesulfonate - Pyrrole - Heteroaromatic compound - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Secondary amine - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group. |
| External Descriptors | Not available |
| Índice de refracción | n20D~1.64 (Predicted) |
|---|---|
| Peso molecular | 645.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 645.185 Da |
| Monoisotopic Mass | 645.185 Da |
| Topological Polar Surface Area | 208.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 778.000 |
| 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 | 3 |
