4-Methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine , CAS No.302552-68-7

CAS: 302552-68-7 Cat. No.: M668741 Peso molecular: 298.36
Disponible para pedir
Synonyms
4-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine | MLS000714635 | Piperidine, 4-methyl-1-[(4-methyl-3-nitrophenyl)sulfonyl]- | SMR000274614 | ST50454009 | BDBM46950 | cid_2842628 | DTXSID10385714 | HMS2686J07 | STK070283 | AKOS000671434 | SR-01000425
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
M668741-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
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5mg
M668741-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
4-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine | MLS000714635 | Piperidine, 4-methyl-1-[(4-methyl-3-nitrophenyl)sulfonyl]- | SMR000274614 | ST50454009 | BDBM46950 | cid_2842628 | DTXSID10385714 | HMS2686J07 | STK070283 | AKOS000671434 | SR-01000425
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP2.5
Nombres e identificadores
Sonrisas canónicasCC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]
IUPAC Name4-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
InChIKeyWWZLBFAFCHQFSE-UHFFFAOYSA-N
INCHI1S/C13H18N2O4S/c1-10-5-7-14(8-6-10)20(18,19)12-4-3-11(2)13(9-12)15(16)17/h3-4,9-10H,5-8H2,1-2H3
Isómeros SMILES CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]
Peso molecular 298.36
Reaxy-Rn 15568031
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15568031&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Tosyl compounds - P-toluenesulfonamides
Direct ParentN,N-disubstituted p-toluenesulfonamides
Alternative Parents Benzenesulfonamides  Nitrotoluenes  Nitrobenzenes  Benzenesulfonyl compounds  Nitroaromatic compounds  Piperidines  Organosulfonamides  Sulfonyls  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitrotoluene - Nitroaromatic compound - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
MCOLN3 Tchem Mucolipin-3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCOLN3 Tchem MCOLN3 protein (319 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hsf1 Heat shock factor protein 1 (5445 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
nompc Ion channel NompC (277 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular298.360 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass298.099 Da
Monoisotopic Mass298.099 Da
Topological Polar Surface Area91.600 Ų
Heavy Atom Count20
Formal Charge0
Complexity446.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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