1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea
TL;DR: 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea (CAS 858743-32-5) is a chemical compound with molecular formula C27H25Cl2N3O5 and molecular weight 541.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]urea
Also Known As: 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea, 1-(3,4-dichlorophenyl)-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]urea, 1-(3,4-dichlorophenyl)-3-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}urea, 3-(3,4-dichlorophenyl)-1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]urea
| Molecular Formula | C27H25Cl2N3O5 |
|---|---|
| Molecular Weight | 541.12 g/mol |
| LogP | 6.8108 |
| Topological Polar Surface Area | 90.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.1171 |
| Heavy Atoms | 37 |
| Complexity | 1462.1738 |
Chemical Identifiers
| CAS Number | 858743-32-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)NC4=CC(=C(C=C4)Cl)Cl)OC)OC)OC |
Product Overview
1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea (CAS 858743-32-5), with molecular formula C27H25Cl2N3O5 and molecular weight 541.12 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]urea.
Chemical Property Profile of 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea
Property Insights of 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea
The XLogP value of 6.8108 indicates that 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)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-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea. Following Lipinski's Rule of Five, 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)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-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea?
The CAS number of 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea is 858743-32-5.
What is the molecular formula of 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea?
The molecular formula of 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea is C27H25Cl2N3O5.
What is the molecular weight of 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea?
The molecular weight of 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea is 541.12 g/mol.
Where can I buy 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea?
You can request a quote for 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-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-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorophenyl)-3-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.