1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(naphthalen-1-yloxy)-ethanone , CAS No.306288-95-9

CAS: 306288-95-9 Cat. No.: D668598 Peso molecular: 379.4 PubChem CID: 1112978
Disponible para pedir
Synonyms
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(naphthalen-1-yloxy)-ethanone | SMR000176398 | ChemDiv3_002187 | Oprea1_183530 | Oprea1_663851 | MLS000556152 | REGID_for_CID_1112978 | HMS1479D09 | HMS2358C04 | STK077332 | AKOS000620240 | 1-(10,11-dihydro-5H-d
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
D668598-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
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5mg
D668598-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

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
1-(10, 11-Dihydro-dibenzo[b, f]azepin-5-yl)-2-(naphthalen-1-yloxy)-ethanone | SMR000176398 | ChemDiv3_002187 | Oprea1_183530 | Oprea1_663851 | MLS000556152 | REGID_for_CID_1112978 | HMS1479D09 | HMS2358C04 | STK077332 | AKOS000620240 | 1-(10, 11-dihydro-5H-d
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP6.1
Nombres e identificadores
Sonrisas canónicasC1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC4=CC=CC5=CC=CC=C54
IUPAC Name1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yloxyethanone
InChIKeyGNUBRPMYIYQREU-UHFFFAOYSA-N
INCHI1S/C26H21NO2/c28-26(18-29-25-15-7-11-19-8-1-4-12-22(19)25)27-23-13-5-2-9-20(23)16-17-21-10-3-6-14-24(21)27/h1-15H,16-18H2
Isómeros SMILES C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC4=CC=CC5=CC=CC=C54
PubChem CID 1112978
Peso molecular 379.4

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.

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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
SuperclassOrganoheterocyclic compounds
ClaseBenzazepines
SubclassDibenzazepines
Intermediate Tree Nodes Not available
Direct ParentDibenzazepines
Alternative Parents Naphthalenes  Azepines  Alkyl aryl ethers  Tertiary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dibenzazepine - Naphthalene - Alkyl aryl ether - Azepine - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CACNA1H Tclin Voltage-gated T-type calcium channel alpha-1H subunit (1913 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 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)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 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
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 molecular379.400 g/mol
XLogP36.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass379.157 Da
Monoisotopic Mass379.157 Da
Topological Polar Surface Area29.500 Ų
Heavy Atom Count29
Formal Charge0
Complexity539.000
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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