N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
TL;DR: N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide (CAS 858747-52-1) is a chemical compound with molecular formula C27H27FN2O6S and molecular weight 526.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-5-fluoro-2-methylbenzenesulfonamide
Also Known As: N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide, N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-5-fluoro-2-methylbenzenesulfonamide, N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-5-fluoro-2-methylbenzenesulfonamide
| Molecular Formula | C27H27FN2O6S |
|---|---|
| Molecular Weight | 526.16 g/mol |
| LogP | 5.10832 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.1574 |
| Heavy Atoms | 37 |
| Complexity | 1573.4585 |
Chemical Identifiers
| CAS Number | 858747-52-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC(=C(C=C2CC3=NC=CC4=CC(=C(C=C43)OC)OC)OC)OC |
Product Overview
N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide (CAS 858747-52-1), with molecular formula C27H27FN2O6S and molecular weight 526.16 g/mol. IUPAC: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-5-fluoro-2-methylbenzenesulfonamide.
Chemical Property Profile of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
Property Insights of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
The XLogP value of 5.10832 indicates that N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide has 1 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 N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The CAS number of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide is 858747-52-1.
What is the molecular formula of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The molecular formula of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide is C27H27FN2O6S.
What is the molecular weight of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The molecular weight of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide is 526.16 g/mol.
Where can I buy N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
You can request a quote for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-5-fluoro-2-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.