2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid
TL;DR: 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid (CAS 858752-12-2) is a chemical compound with molecular formula C28H26N2O7 and molecular weight 502.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]carbamoyl]benzoic acid
Also Known As: 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid, 2-({2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}carbamoyl)benzoic acid, 2-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]carbamoyl]benzoic Acid, 2-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]carbamoyl]benzoic acid
| Molecular Formula | C28H26N2O7 |
|---|---|
| Molecular Weight | 502.17 g/mol |
| LogP | 4.8105 |
| Topological Polar Surface Area | 116.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.174 |
| Heavy Atoms | 37 |
| Complexity | 1483.3727 |
Chemical Identifiers
| CAS Number | 858752-12-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=CC=C4C(=O)O)OC)OC)OC |
Product Overview
2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid (CAS 858752-12-2), with molecular formula C28H26N2O7 and molecular weight 502.17 g/mol. IUPAC: 2-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]carbamoyl]benzoic acid.
Chemical Property Profile of 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid
Property Insights of 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid
The XLogP value of 4.8105 indicates that 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid. Following Lipinski's Rule of Five, 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid?
The CAS number of 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid is 858752-12-2.
What is the molecular formula of 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid?
The molecular formula of 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid is C28H26N2O7.
What is the molecular weight of 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid?
The molecular weight of 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid is 502.17 g/mol.
Where can I buy 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid?
You can request a quote for 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)carbamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.