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

CAS: 330998-71-5 Cat. No.: C423386 Formule: C18H17N3O Poids moléculaire: 291.35
DISPONIBLE À COMMANDE
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
Allemagne (EU)*
Price
Qty
1ml
C423386-1ml
Sur commande · 8–12 semaines

205,90$US

241,90$US
Enregistrer 36,00 $US (14.88%)
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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.

Vue d’ensemble

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

Specifications

Synonymes
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
Spécifications et pureté
10mM in DMSO
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Propriétés du produit
ALogP3.665
hba_count2
Nombre de HBD1
Liaison rotative1
Noms et identifiants
Sourires canoniquesCC1(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
Isomères SMILES CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC(=CC=C4)O)C
Poids moléculaire 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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





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Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
DMSO (mM) Solubilité maximale10
Poids moléculaire291.300 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
Calculateurs de solution
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