![3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline structure](/static/products/770/77044-71-4.png)
3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline
TL;DR: 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline (CAS 77044-71-4) is a chemical compound with molecular formula C17H13N3 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: 3-(4-methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline, 3-(p-Tolyl)-[1,2,4]triazolo[3,4-a]isoquinoline, 3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline
| Molecular Formula | C17H13N3 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.11096 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 77044-71-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C3N2C=CC4=CC=CC=C43 |
| InChIKey | KYOSZNVQIYWEOX-UHFFFAOYSA-N |
Product Overview
3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline (CAS 77044-71-4), with molecular formula C17H13N3 and molecular weight 259.11 g/mol. IUPAC: 3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline
Property Insights of 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline
The XLogP value of 4.5 indicates that 3-(4-Methylphenyl)[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 30.2 Ų, 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline has 0 hydrogen bond donor(s) and 2 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 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline?
The CAS number of 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline is 77044-71-4.
What is the molecular formula of 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular formula of 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline is C17H13N3.
What is the molecular weight of 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular weight of 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline is 259.11 g/mol.
Where can I buy 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline?
You can request a quote for 3-(4-Methylphenyl)[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 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.