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

CAS: 450348-85-3 Cat. No.: A649013 分子式: C17H13F2NO3 分子量: 317.29 PubChem CID: 3510704
注文可能
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
★
Size
USA
ドイツ (EU)*
Price
Qty
1mg
A649013-1mg
受注生産 · 8~12週間
$180.90
5mg
A649013-5mg
受注生産 · 8~12週間
$360.90
10mg
A649013-10mg
受注生産 · 8~12週間
$580.90
25mg
A649013-25mg
受注生産 · 8~12週間
$449.90
50mg
A649013-50mg
受注生産 · 8~12週間
$1,840.90
100mg
A649013-100mg
受注生産 · 8~12週間
$2,940.90
250mg
A649013-250mg
受注生産 · 8~12週間
$1,349.90
Enter a quantity for the sizes you want to add.
🧪

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

同義語
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
仕様と純度
Moligand™,≥99%
生化学的・生理学的メカニズム
AVE3085 is a potent endothelial nitric oxide synthase enhancer, used for cardiovascular disease treatment.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
等級
Moligand™
アクションタイプ
ACTIVATOR
純度
≥99%
名前と識別子
カノニカル・スマイルC1C(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)
異性体SMILES C1C(CC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OC(O4)(F)F
代替CAS番号 450348-85-3
PubChem CID 3510704
MeSH用語 2,2-difluorobenzo(1,3)dioxole-5-carboxylic acid indan-2-ylamide;AVE 3085;AVE-3085;AVE3085
分子量 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
分類Benzodioxoles
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
説明This 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
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
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.

6 results found

Lot NumberCertificate Type日付商品
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
化学的性質と物理的性質
溶解度DMSO : 250 mg/mL (787.92 mM; Need ultrasonic)
分子量317.290 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
ソリューション計算機
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よくある質問

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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