SSR128129E - Moligand™ , CAS No.848463-13-8

CAS: 848463-13-8 Cat. No.: S613719 PubChem CID: 11347895
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.
Synonyms
SSR
Storage
Room temperature
★
Size
USA
ドイツ (EU)*
Price
Qty
5mg
S613719-5mg
受注生産 · 8~12週間

$1,142.90

$1,334.90
保存 $192.00 (14.38%)
25mg
S613719-25mg
受注生産 · 8~12週間

$1,714.90

$2,001.90
保存 $287.00 (14.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ 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.

📚

Literature proof

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

Specifications

同義語
SSR
仕様と純度
Moligand™
保管条件
Room temperature
等級
Moligand™
名前と識別子
カノニカル・スマイル
CC1=C(N2C=CC=CC2=C1OC)C(=O)C3=CC(=C(C=C3)N)C(=O)O
IUPAC Name
2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoic acid
InChIKey
SNMCWIDCSPHZRD-UHFFFAOYSA-N
INCHI
1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23)
異性体SMILES
CC1=C(N2C=CC=CC2=C1OC)C(=O)C3=CC(=C(C=C3)N)C(=O)O
PubChem CID
11347895

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
SuperclassOrganic oxygen compounds
分類Organooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAryl-phenylketones
Alternative Parents Aminobenzoic acids  Indolizines  Benzoic acids  Aniline and substituted anilines  Benzoyl derivatives  Alkyl aryl ethers  Substituted pyrroles  Pyridines and derivatives  Vinylogous amides  Heteroaromatic compounds  Amino acids  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organopnictogen compounds  Primary amines  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Aryl-phenylketone - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Indolizine - Pyrrolopyridine - Benzoyl - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyridine - Vinylogous amide - Heteroaromatic compound - Pyrrole - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Primary amine - Amine - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors aromatic ether - aromatic ketone - aminobenzoic acid - indolizines
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(非人間)
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作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量324.300 g/mol
XLogP33.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass324.111 Da
Monoisotopic Mass324.111 Da
Topological Polar Surface Area94.000 Ų
Heavy Atom Count24
Formal Charge0
Complexity497.000
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
レビュー

顧客レビュー

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