![N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline structure](/static/products/774/774601-23-9.png)
N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline
TL;DR: N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline (CAS 774601-23-9) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-ynyl]-2-methyl-4-nitroaniline
Also Known As: N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline, N-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-2-methyl-4-nitroaniline, N-[3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-ynyl]-2-methyl-4-nitroaniline
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 3.28502 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 1056.9592 |
Chemical Identifiers
| CAS Number | 774601-23-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NCC#CC2C3=C(C4=C(C=C3CCN2C)OCO4)OC |
Product Overview
N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline (CAS 774601-23-9), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: N-[3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-ynyl]-2-methyl-4-nitroaniline.
Chemical Property Profile of N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline
Property Insights of N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline
The XLogP value of 3.28502 indicates that N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline. Following Lipinski's Rule of Five, N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline has 1 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 N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline?
The CAS number of N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline is 774601-23-9.
What is the molecular formula of N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline?
The molecular formula of N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline is C22H23N3O5.
What is the molecular weight of N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline?
The molecular weight of N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline is 409.16 g/mol.
Where can I buy N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline?
You can request a quote for N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl)-2-methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.