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340,000+ 연구 제품 · Triple ISO certified · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송

SDZ 21009 , CAS No.39731-05-0

Name: SDZ 21009 , CAS No.39731-05-0
SKU: S288286
Availability: InStock

CAS: 39731-05-0 Cat. No.: S288286 분자식: C₁₉H₂₈N₂O₄ 분자량: 348.44 PubChem CID: 193949

COA

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SDZ 21009 - CAS No(39731-05-0) by Aladdin Scientific

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주문 가능

Synonyms

SR-01000597604 | ISOPROPYL (+/-)-4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)INDOLE-2-CARBOXYLATE | 4-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYLETHYL ESTER | Isopropyl (+-)-4-(3-(tert-butylamino)-2-hydroxypropoxy)ind

Storage

Room temperature

Shipped In

Normal

Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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

동의어

생화학 및 생리적 메커니즘

β-adrenoceptor and 5-HT1A/1Breceptor antagonist. pKB/pA2values are 8.3 and 8.0 for 5-HT1Aand 5-HT1Breceptors respectively. Centrally active following systemic administrationin vivo.

보관 조건

Room temperature

배송

Normal

이름과 식별자

정식 스마일

CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O

IUPAC Name

propan-2-yl 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylate

InChIKey

SJYFDORQYYEJLB-UHFFFAOYSA-N

INCHI

1S/C19H28N2O4/c1-12(2)25-18(23)16-9-14-15(21-16)7-6-8-17(14)24-11-13(22)10-20-19(3,4)5/h6-9,12-13,20-22H,10-11H2,1-5H3

이성체 SMILES

CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O

PubChem CID

193949

분자량

348.44

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 분류 Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids and derivatives
Alternative Parents	Indoles Pyrrole carboxylic acids and derivatives Alkyl aryl ethers Substituted pyrroles Benzenoids Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Alcohol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

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용해성	Solvent:ethanol, Max Conc. mg/mL: 34.84, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 34.84, Max Conc. mM: 100
분자량	348.400 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	348.205 Da
Monoisotopic Mass	348.205 Da
Topological Polar Surface Area	83.600 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	436.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1