n,n'-1,2-Phenylenebis(n,4-dimethylbenzenesulfonamide) , CAS No.29627-62-1

CAS: 29627-62-1 Cat. No.: N668205 Peso molecular: 444.6
Disponible para pedir
Synonyms
n,n'-1,2-phenylenebis(n,4-dimethylbenzenesulfonamide) | NSC101062 | Oprea1_370376 | CBDivE_001423 | DTXSID20295299 | BDBM50305735 | AKOS002161609 | NSC-101062 | N,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide | N,N-o-phen
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
N668205-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
N668205-5mg
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
n, n'-1, 2-phenylenebis(n, 4-dimethylbenzenesulfonamide) | NSC101062 | Oprea1_370376 | CBDivE_001423 | DTXSID20295299 | BDBM50305735 | AKOS002161609 | NSC-101062 | N, 4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide | N, N-o-phen
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP4.1
Nombres e identificadores
Sonrisas canónicasCC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C
IUPAC NameN,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
InChIKeyWOBGBOUAUABUFZ-UHFFFAOYSA-N
INCHI1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
Isómeros SMILES CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C
Peso molecular 444.6
Reaxy-Rn 2790989
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2790989&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.

Look up COA →

📊 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 Sulfanilides  Benzenesulfonamides  Benzenesulfonyl compounds  Organosulfonamides  Aminosulfonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic 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)
C5AR1 Tclin C5a anaphylatoxin chemotactic receptor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CXCR4 Tclin C-X-C chemokine receptor type 4 (3338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY2 Tclin Purinergic receptor P2Y2 (1109 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCR3 Tchem C-X-C chemokine receptor type 3 (2736 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 molecular444.600 g/mol
XLogP34.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass444.118 Da
Monoisotopic Mass444.118 Da
Topological Polar Surface Area91.500 Ų
Heavy Atom Count30
Formal Charge0
Complexity690.000
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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