![5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline structure](/static/products/3324/332413-25-9.webp)
5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
TL;DR: 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline (CAS 332413-25-9) is a chemical compound with molecular formula C21H18N4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: BAS 00470490, 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline, 5,5-Dimethyl-3-quinolin-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline, 2-{5,5-DIMETHYL-5H,6H-[1,2,4]TRIAZOLO[3,4-A]ISOQUINOLIN-3-YL}QUINOLINE, 5,5-dimethyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline
| Molecular Formula | C21H18N4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.15314 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 332413-25-9 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=NC5=CC=CC=C5C=C4)C |
| InChIKey | JVNXINFPUCFCFH-UHFFFAOYSA-N |
Product Overview
5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline (CAS 332413-25-9), with molecular formula C21H18N4 and molecular weight 326.15 g/mol. IUPAC: 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Property Insights of 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
The XLogP value of 3.6 indicates that 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The CAS number of 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is 332413-25-9.
What is the molecular formula of 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular formula of 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is C21H18N4.
What is the molecular weight of 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular weight of 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is 326.15 g/mol.
Where can I buy 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
You can request a quote for 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.