CL-418112 - 10mM in DMSO , CAS No.330998-71-5

CAS: 330998-71-5 Cat. No.: C423386 Fórmula: C18H17N3O Peso molecular: 291.35
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
330998-71-5|3-(5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenol|CHEMBRDG-BB 5675329|3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenol|3-(5,5-Dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenol|3-{5,5-DIME
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
Alemanha (EU)*
Price
Qty
1ml
C423386-1ml
Sob encomenda · 8–12 semanas

205,90US$

241,90US$
Gravar 36,00 US$ (14.88%)
Enter a quantity for the sizes you want to add.
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Visão geral

altering the lifespan of a eukaryotic organism; 11β-hydroxysteroid dehydrogenase type 1 inhibitor;

Specifications

Sinónimos
330998-71-5 | 3-(5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenol | CHEMBRDG-BB 5675329 | 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenol | 3-(5,5-Dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenol | 3-{5,5-DIME
Especificações e pureza
10mM in DMSO
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Propriedades do produto
ALogP3.665
hba_count2
Contagem HBD1
Ligação rotativa1
Nomes e identificadores
Sorrisos canónicosCC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC(=CC=C4)O)C
IUPAC Name3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenol
InChIKeyOUNBBIYHRZELDA-UHFFFAOYSA-N
INCHI1S/C18H17N3O/c1-18(2)11-13-6-3-4-9-15(13)17-20-19-16(21(17)18)12-7-5-8-14(22)10-12/h3-10,22H,11H2,1-2H3
SMILES isoméricas CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC(=CC=C4)O)C
Peso molecular 291.35
Reaxy-Rn 44409264
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44409264&ln=

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
ClasseAzoles
SubclassTriazoles
Intermediate Tree Nodes Phenyltriazoles
Direct ParentPhenyl-1,2,4-triazoles
Alternative Parents Triazolopyridines  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Pyridines and derivatives  Benzene and substituted derivatives  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenyl-1,2,4-triazole - Triazolopyridine - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLH Tchem DNA polymerase eta (21678 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
DMSO (mM) Solubilidade máxima10
Peso molecular291.300 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass291.137 Da
Monoisotopic Mass291.137 Da
Topological Polar Surface Area50.900 Ų
Heavy Atom Count22
Formal Charge0
Complexity413.000
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

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