![5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline structure](/static/products/400/400786-27-8.png)
5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
TL;DR: 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 400786-27-8) is a chemical compound with molecular formula C28H26N4O4 and molecular weight 482.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[2-(benzotriazol-2-yl)-4-methylphenoxy]prop-1-ynyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline, 5-[3-[2-(benzotriazol-2-yl)-4-methylphenoxy]prop-1-ynyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline, 5-{3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]prop-1-yn-1-yl}-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C28H26N4O4 |
|---|---|
| Molecular Weight | 482.20 g/mol |
| LogP | 4.07762 |
| Topological Polar Surface Area | 70.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.1954 |
| Heavy Atoms | 36 |
| Complexity | 1484.4962 |
Chemical Identifiers
| CAS Number | 400786-27-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC#CC2C3=C(C4=C(C=C3CCN2C)OCO4)OC)N5N=C6C=CC=CC6=N5 |
Product Overview
5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 400786-27-8), with molecular formula C28H26N4O4 and molecular weight 482.20 g/mol. IUPAC: 5-[3-[2-(benzotriazol-2-yl)-4-methylphenoxy]prop-1-ynyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
Property Insights of 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
The XLogP value of 4.07762 indicates that 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline. Following Lipinski's Rule of Five, 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline has 0 hydrogen bond donor(s) and 7 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-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The CAS number of 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 400786-27-8.
What is the molecular formula of 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular formula of 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is C28H26N4O4.
What is the molecular weight of 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular weight of 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 482.20 g/mol.
Where can I buy 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
You can request a quote for 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.