1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea
TL;DR: 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea (CAS 858750-68-2) is a chemical compound with molecular formula C24H29N3O5 and molecular weight 439.21 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-propylurea
Also Known As: 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea, 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-propyl-urea, 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-propylurea, 1-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3-propylurea, N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-N'-propylurea
| Molecular Formula | C24H29N3O5 |
|---|---|
| Molecular Weight | 439.21 g/mol |
| LogP | 4.3915 |
| Topological Polar Surface Area | 90.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.21072 |
| Heavy Atoms | 32 |
| Complexity | 1100.6752 |
Chemical Identifiers
| CAS Number | 858750-68-2 |
|---|---|
| SMILES | CCCNC(=O)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC |
Product Overview
1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea (CAS 858750-68-2), with molecular formula C24H29N3O5 and molecular weight 439.21 g/mol. IUPAC: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-propylurea.
Chemical Property Profile of 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea
Property Insights of 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea
The XLogP value of 4.3915 indicates that 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea 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-propylurea. Following Lipinski's Rule of Five, 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea has 2 hydrogen bond donor(s) and 6 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 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea?
The CAS number of 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea is 858750-68-2.
What is the molecular formula of 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea?
The molecular formula of 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea is C24H29N3O5.
What is the molecular weight of 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea?
The molecular weight of 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea is 439.21 g/mol.
Where can I buy 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea?
You can request a quote for 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea 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-propylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-propylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.