≥98% 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.
| ALogP | 3.2 |
|---|
| Canonical Smiles | CC(=O)NC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)CC3CCCCC3 |
|---|---|
| IUPAC Name | N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide |
| InChIKey | SPWZXWDPAWDKQE-UHFFFAOYSA-N |
| INCHI | 1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28) |
| Isomeric SMILES | CC(=O)NC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)CC3CCCCC3 |
| Alternate CAS | 740873-06-7 |
| PubChem CID | 11430856 |
| MeSH Entry Terms | N-(3-(4-(4-cyclohexylmethanesulfonylaminobutyl)piperazin-1-yl)phenyl)acetamide;naluzotan;PRX 00023;PRX-00023;PRX00023 |
| Molecular Weight | 450.6 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Acetanilides N-acetylarylamines Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Organosulfonamides Organic sulfonamides Acetamides Aminosulfonyl compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Acetanilide - N-acetylarylamine - Anilide - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-arylamide - N-alkylpiperazine - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Acetamide - Aminosulfonyl compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
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| Molecular Weight | 450.600 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 450.266 Da |
| Monoisotopic Mass | 450.266 Da |
| Topological Polar Surface Area | 90.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 638.000 |
| 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 |
