1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea
TL;DR: 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea (CAS 858743-57-4) is a chemical compound with molecular formula C28H29N3O5 and molecular weight 487.21 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-(4-methylphenyl)urea
Also Known As: 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea, 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-(4-methylphenyl)urea, 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-(4-methylphenyl)urea, 1-{2-[(6,7-DIMETHOXYISOQUINOLIN-1-YL)METHYL]-4,5-DIMETHOXYPHENYL}-3-(4-METHYLPHENYL)UREA
| Molecular Formula | C28H29N3O5 |
|---|---|
| Molecular Weight | 487.21 g/mol |
| LogP | 5.81242 |
| Topological Polar Surface Area | 90.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.21072 |
| Heavy Atoms | 36 |
| Complexity | 1386.5872 |
Chemical Identifiers
| CAS Number | 858743-57-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2CC3=NC=CC4=CC(=C(C=C43)OC)OC)OC)OC |
Product Overview
1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea (CAS 858743-57-4), with molecular formula C28H29N3O5 and molecular weight 487.21 g/mol. IUPAC: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-(4-methylphenyl)urea.
Chemical Property Profile of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea
Property Insights of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea
The XLogP value of 5.81242 indicates that 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea. Following Lipinski's Rule of Five, 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea has 2 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 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea?
The CAS number of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea is 858743-57-4.
What is the molecular formula of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea?
The molecular formula of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea is C28H29N3O5.
What is the molecular weight of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea?
The molecular weight of 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea is 487.21 g/mol.
Where can I buy 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea?
You can request a quote for 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)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-(p-tolyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-(p-tolyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.