N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
TL;DR: N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (CAS 858747-32-7) is a chemical compound with molecular formula C33H30N2O5 and molecular weight 534.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-1,2-dihydroacenaphthylene-5-carboxamide
Also Known As: N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide, N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]acenaphthene-5-carboxamide, N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-1,2-dihydroacenaphthylene-5-carboxamide, N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1,2-dihydroacenaphthylene-5-carboxamide
| Molecular Formula | C33H30N2O5 |
|---|---|
| Molecular Weight | 534.22 g/mol |
| LogP | 6.3641 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.21545 |
| Heavy Atoms | 40 |
| Complexity | 1769.119 |
Chemical Identifiers
| CAS Number | 858747-32-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=C5CCC6=C5C4=CC=C6)OC)OC)OC |
Product Overview
N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (CAS 858747-32-7), with molecular formula C33H30N2O5 and molecular weight 534.22 g/mol. IUPAC: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-1,2-dihydroacenaphthylene-5-carboxamide.
Chemical Property Profile of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
Property Insights of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
The XLogP value of 6.3641 indicates that N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide. Following Lipinski's Rule of Five, N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The CAS number of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is 858747-32-7.
What is the molecular formula of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The molecular formula of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is C33H30N2O5.
What is the molecular weight of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The molecular weight of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is 534.22 g/mol.
Where can I buy N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
You can request a quote for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1,2-dihydroacenaphthylene-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.