≥99% 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 | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCOC4=NC(=NC(=C4OC5=CC=CC=C5OC)NS(=O)(=O)C6=CC=C(C=C6)C(C)(C)C)C7=NC=CC=N7)OC8=CC=CC=C8OC |
|---|---|
| IUPAC Name | 4-tert-butyl-N-[6-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide |
| InChIKey | WJWCTRNSPLUHTB-UHFFFAOYSA-N |
| INCHI | 1S/C52H52N10O10S2/c1-51(2,3)33-19-23-35(24-20-33)73(63,64)61-43-41(71-39-17-11-9-15-37(39)67-7)49(59-47(57-43)45-53-27-13-28-54-45)69-31-32-70-50-42(72-40-18-12-10-16-38(40)68-8)44(58-48(60-50)46-55-29-14-30-56-46)62-74(65,66)36-25-21-34(22-26-36)52(4,5)6/h9-30H,31-32H2,1-8H3,(H,57,59,61)(H,58,60,62) |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCOC4=NC(=NC(=C4OC5=CC=CC=C5OC)NS(=O)(=O)C6=CC=C(C=C6)C(C)(C)C)C7=NC=CC=N7)OC8=CC=CC=C8OC |
| PubChem CID | 59509251 |
| Molecular Weight | 1041.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bipyrimidines and oligopyrimidines |
| Alternative Parents | Diarylethers Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Bipyrimidine - Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Azacycle - Ether - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as bipyrimidines and oligopyrimidines. These are organic compounds containing two or more pyrimidine rings directly linked to each other. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 1041.200 g/mol |
|---|---|
| XLogP3 | 8.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 21 |
| Exact Mass | 1040.33 Da |
| Monoisotopic Mass | 1040.33 Da |
| Topological Polar Surface Area | 268.000 Ų |
| Heavy Atom Count | 74 |
| Formal Charge | 0 |
| Complexity | 1780.000 |
| 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 |
