AVE3085 - Moligand™,≥99% , CAS No.450348-85-3

CAS: 450348-85-3 Cat. No.: A649013 Fórmula: C17H13F2NO3 Peso molecular: 317.29 PubChem CID: 3510704
Disponível para encomenda
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
AKOS040741187 | Z2273249951 | UNII-GWD67BMF7L | MS-24681 | 1,3-BENZODIOXOLE-5-CARBOXAMIDE, N-(2,3-DIHYDRO-1H-INDEN-2-YL)-2,2-DIFLUORO- | AVE3085 | AVE-3085 | AVE 3085 | SCHEMBL611278 | AB00019844-01 | OKCJNSDIVCXYAL-UHFFFAOYSA-N | GWD67BMF7L | 1,3-Bezodio
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
USA
Alemanha (EU)*
Price
Qty
1mg
A649013-1mg
Sob encomenda · 8–12 semanas
180,90US$
5mg
A649013-5mg
Sob encomenda · 8–12 semanas
360,90US$
10mg
A649013-10mg
Sob encomenda · 8–12 semanas
580,90US$
25mg
A649013-25mg
Sob encomenda · 8–12 semanas
449,90US$
50mg
A649013-50mg
Sob encomenda · 8–12 semanas
1840,90US$
100mg
A649013-100mg
Sob encomenda · 8–12 semanas
2940,90US$
250mg
A649013-250mg
Sob encomenda · 8–12 semanas
1349,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
AKOS040741187 | Z2273249951 | UNII-GWD67BMF7L | MS-24681 | 1,3-BENZODIOXOLE-5-CARBOXAMIDE, N-(2,3-DIHYDRO-1H-INDEN-2-YL)-2,2-DIFLUORO- | AVE3085 | AVE-3085 | AVE 3085 | SCHEMBL611278 | AB00019844-01 | OKCJNSDIVCXYAL-UHFFFAOYSA-N | GWD67BMF7L | 1,3-Bezodio
Especificações e pureza
Moligand™,≥99%
Mecanismos bioquímicos e fisiológicos
AVE3085 is a potent endothelial nitric oxide synthase enhancer, used for cardiovascular disease treatment.
Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Grau
Moligand™
Tipo de ação
ACTIVATOR
Pureza
≥99%
Nomes e identificadores
Sorrisos canónicosC1C(CC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OC(O4)(F)F
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide
InChIKeyOKCJNSDIVCXYAL-UHFFFAOYSA-N
INCHI1S/C17H13F2NO3/c18-17(19)22-14-6-5-12(9-15(14)23-17)16(21)20-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,20,21)
SMILES isoméricas C1C(CC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OC(O4)(F)F
CAS alternativo 450348-85-3
PubChem CID 3510704
Termos de entrada MeSH 2,2-difluorobenzo(1,3)dioxole-5-carboxylic acid indan-2-ylamide;AVE 3085;AVE-3085;AVE3085
Peso molecular 317.29

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
SuperclassOrganoheterocyclic compounds
ClasseBenzodioxoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzodioxoles
Alternative Parents Indanes  Secondary carboxylic acid amides  Oxacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzodioxole - Indane - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDataItem
I2618306Certificate of AnalysisApr 29, 2026 A649013
I2618307Certificate of AnalysisApr 29, 2026 A649013
I2618308Certificate of AnalysisApr 29, 2026 A649013
I2618309Certificate of AnalysisApr 29, 2026 A649013
I2618310Certificate of AnalysisApr 29, 2026 A649013
I2618311Certificate of AnalysisApr 29, 2026 A649013
I2618312Certificate of AnalysisApr 29, 2026 A649013
Propriedades químicas e físicas
SolubilidadeDMSO : 250 mg/mL (787.92 mM; Need ultrasonic)
Peso molecular317.290 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass317.086 Da
Monoisotopic Mass317.086 Da
Topological Polar Surface Area47.600 Ų
Heavy Atom Count23
Formal Charge0
Complexity459.000
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 soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

What are the CAS number, molecular formula and molecular weight?
The CAS Number is 450348-85-3, the molecular formula is C17H13F2NO3, and the molecular weight is 317.29 g/mol. InChIKey OKCJNSDIVCXYAL-UHFFFAOYSA-N.

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