N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide
TL;DR: N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide (CAS 632299-72-0) is a chemical compound with molecular formula C27H25FN2O5 and molecular weight 476.17 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]-4-fluorobenzamide
Also Known As: N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide, N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-4-fluoro-benzamide, N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-4-fluorobenzamide, N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-fluorobenzamide, N-{2-[(6,7-dimethoxyisoquinolyl)methyl]-4,5-dimethoxyphenyl}(4-fluorophenyl)ca rboxamide
| Molecular Formula | C27H25FN2O5 |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | 5.2514 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.17474 |
| Heavy Atoms | 35 |
| Complexity | 1372.6154 |
Chemical Identifiers
| CAS Number | 632299-72-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=C(C=C4)F)OC)OC)OC |
Product Overview
N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide (CAS 632299-72-0), with molecular formula C27H25FN2O5 and molecular weight 476.17 g/mol. IUPAC: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-4-fluorobenzamide.
Chemical Property Profile of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide
Property Insights of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide
The XLogP value of 5.2514 indicates that N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide has 1 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 N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide?
The CAS number of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide is 632299-72-0.
What is the molecular formula of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide?
The molecular formula of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide is C27H25FN2O5.
What is the molecular weight of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide?
The molecular weight of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide is 476.17 g/mol.
Where can I buy N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide?
You can request a quote for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide 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)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.