1-(2-Methoxy-4-methylphenyl)sulfonylazepane , CAS No.333746-11-5

CAS: 333746-11-5 Cat. No.: M668310 Peso molecular: 283.39
Disponible para pedir
Synonyms
1-(2-methoxy-4-methylphenyl)sulfonylazepane | MLS000713244 | SMR000272725 | BAS 02912361 | 1-[(2-methoxy-4-methylphenyl)sulfonyl]azepane | 1-(2-Methoxy-4-methyl-benzenesulfonyl)-azepane | Oprea1_220773 | Oprea1_453211 | cid_567073 | BDBM46957 | OSMYTXDDDR
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
M668310-1mg
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
M668310-5mg
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
1-(2-methoxy-4-methylphenyl)sulfonylazepane | MLS000713244 | SMR000272725 | BAS 02912361 | 1-[(2-methoxy-4-methylphenyl)sulfonyl]azepane | 1-(2-Methoxy-4-methyl-benzenesulfonyl)-azepane | Oprea1_220773 | Oprea1_453211 | cid_567073 | BDBM46957 | OSMYTXDDDR
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP2.6
Nombres e identificadores
Sonrisas canónicasCC1=CC(=C(C=C1)S(=O)(=O)N2CCCCCC2)OC
IUPAC Name1-(2-methoxy-4-methylphenyl)sulfonylazepane
InChIKeyOSMYTXDDDRZWAT-UHFFFAOYSA-N
INCHI1S/C14H21NO3S/c1-12-7-8-14(13(11-12)18-2)19(16,17)15-9-5-3-4-6-10-15/h7-8,11H,3-6,9-10H2,1-2H3
Isómeros SMILES CC1=CC(=C(C=C1)S(=O)(=O)N2CCCCCC2)OC
Peso molecular 283.39
Reaxy-Rn 24520037
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24520037&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.

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🔬 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  Benzenesulfonyl compounds  Phenoxy compounds  Methoxybenzenes  Anisoles  Azepanes  Alkyl aryl ethers  Organosulfonamides  Sulfonyls  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azepane - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen 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)
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCOLN3 Tchem MCOLN3 protein (319 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
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 molecular283.390 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass283.124 Da
Monoisotopic Mass283.124 Da
Topological Polar Surface Area55.000 Ų
Heavy Atom Count19
Formal Charge0
Complexity369.000
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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