Echinulin - ≥96% , CAS No.1859-87-6

CAS: 1859-87-6 Cat. No.: E695551 분자식: C29H39N3O2 분자량: 461.64 PubChem CID: 115252
주문 가능
GRADE & PURITY ≥96%
Storage
Room temperature
Size
USA
독일 (EU)*
Price
Qty
5mg
E695551-5mg
주문제작 · 8~12주

US$3,330.90

US$3,885.90
저장 US$555.00 (14.28%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

사양 및 순도
≥96%
보관 조건
Room temperature
작업 유형
ACTIVATOR
순수함
≥96%
이름과 식별자
정식 스마일CC1C(=O)NC(C(=O)N1)CC2=C(NC3=C(C=C(C=C23)CC=C(C)C)CC=C(C)C)C(C)(C)C=C
IUPAC Name(3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
InChIKeyDIKMWTRJIZQJMY-CYFREDJKSA-N
INCHI1S/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-15,19,24,32H,1,12-13,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1
이성체 SMILES C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=C(NC3=C(C=C(C=C23)CC=C(C)C)CC=C(C)C)C(C)(C)C=C
PubChem CID 115252
분자량 461.64

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 acids and derivatives
분류Carboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives
Direct ParentAlpha amino acids and derivatives
Alternative Parents 3-alkylindoles  2,5-dioxopiperazines  Substituted pyrroles  Benzenoids  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Dioxopiperazine - 2,5-dioxopiperazine - 1,4-diazinane - Piperazine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





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CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)
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관련 대상(비인간)
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작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량461.600 g/mol
XLogP37.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass461.304 Da
Monoisotopic Mass461.304 Da
Topological Polar Surface Area74.000 Ų
Heavy Atom Count34
Formal Charge0
Complexity834.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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