1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea
TL;DR: 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea (CAS 858741-15-8) is a chemical compound with molecular formula C29H31N3O7 and molecular weight 533.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-(3,4-dimethoxyphenyl)urea
Also Known As: 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea, 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-(3,4-dimethoxyphenyl)urea, 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-(3,4-dimethoxyphenyl)urea, 1-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3-(3,4-dimethoxyphenyl)urea
| Molecular Formula | C29H31N3O7 |
|---|---|
| Molecular Weight | 533.22 g/mol |
| LogP | 5.5212 |
| Topological Polar Surface Area | 109.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 533.2162 |
| Heavy Atoms | 39 |
| Complexity | 1489.9683 |
Chemical Identifiers
| CAS Number | 858741-15-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2CC3=NC=CC4=CC(=C(C=C43)OC)OC)OC)OC)OC |
Product Overview
1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea (CAS 858741-15-8), with molecular formula C29H31N3O7 and molecular weight 533.22 g/mol. IUPAC: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-(3,4-dimethoxyphenyl)urea.
Chemical Property Profile of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea
Property Insights of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea
The XLogP value of 5.5212 indicates that 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea. Following Lipinski's Rule of Five, 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea?
The CAS number of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea is 858741-15-8.
What is the molecular formula of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea?
The molecular formula of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea is C29H31N3O7.
What is the molecular weight of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea?
The molecular weight of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea is 533.22 g/mol.
Where can I buy 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea?
You can request a quote for 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.