N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide , CAS No.432014-77-2

CAS: 432014-77-2 Cat. No.: N668624 Peso molecular: 449.5 PubChem CID: 1332299
Disponible para pedir
Synonyms
MLS000530761 | N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide | N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide | N-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydrobenzo[
Storage
Room temperature
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Size
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Price
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1mg
N668624-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
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5mg
N668624-5mg
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1.999,90US$

2.999,90US$
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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
MLS000530761 | N-(9, 9-dimethyl-7-oxo-8, 10-dihydronaphtho[1, 2-b][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide | N-(9, 9-dimethyl-7-oxo-8, 10-dihydronaphtho[1, 2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide | N-(9, 9-dimethyl-7-oxo-7, 8, 9, 10-tetrahydrobenzo[
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP5
Nombres e identificadores
Sonrisas canónicasCC1(CC2=C(C(=O)C1)C3=C(O2)C4=CC=CC=C4C(=C3)NS(=O)(=O)C5=CC=C(C=C5)OC)C
IUPAC NameN-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-methoxybenzenesulfonamide
InChIKeyVQIHVNJYEXYLGL-UHFFFAOYSA-N
INCHI1S/C25H23NO5S/c1-25(2)13-21(27)23-19-12-20(26-32(28,29)16-10-8-15(30-3)9-11-16)17-6-4-5-7-18(17)24(19)31-22(23)14-25/h4-12,26H,13-14H2,1-3H3
Isómeros SMILES CC1(CC2=C(C(=O)C1)C3=C(O2)C4=CC=CC=C4C(=C3)NS(=O)(=O)C5=CC=C(C=C5)OC)C
PubChem CID 1332299
Peso molecular 449.5

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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseNaphthofurans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthofurans
Alternative Parents Sulfanilides  Naphthalenes  Benzenesulfonamides  Benzofurans  Benzenesulfonyl compounds  Phenoxy compounds  Anisoles  Methoxybenzenes  Aryl alkyl ketones  Alkyl aryl ethers  Organosulfonamides  Aminosulfonyl compounds  Heteroaromatic compounds  Furans  Oxacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Naphthofuran - Naphthalene - Sulfanilide - Benzenesulfonamide - Benzofuran - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Anisole - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Furan - Heteroaromatic compound - Ketone - Oxacycle - Ether - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2C9 Tchem Cytochrome P450 2C9 (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
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)
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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
GMNN Tbio Geminin (128009 Activities)
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ATXN2 Tbio Ataxin-2 (54410 Activities)
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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
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Npsr1 Neuropeptide S receptor (260 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ska Streptokinase A (5805 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
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FTL Ferritin light chain (43324 Activities)
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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 molecular449.500 g/mol
XLogP35.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass449.13 Da
Monoisotopic Mass449.13 Da
Topological Polar Surface Area94.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity813.000
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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