(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone
TL;DR: (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone (CAS 449765-80-4) is a chemical compound with molecular formula C27H28N2O7 and molecular weight 492.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-ethoxyphenyl)methanone
Also Known As: (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone, F0535-0644, 2-(2-ethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline, [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-ethoxyphenyl)methanone
| Molecular Formula | C27H28N2O7 |
|---|---|
| Molecular Weight | 492.19 g/mol |
| LogP | 4.8293 |
| Topological Polar Surface Area | 100.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.18964 |
| Heavy Atoms | 36 |
| Complexity | 1243.3696 |
Chemical Identifiers
| CAS Number | 449765-80-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC |
Product Overview
(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone (CAS 449765-80-4), with molecular formula C27H28N2O7 and molecular weight 492.19 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-ethoxyphenyl)methanone.
Chemical Property Profile of (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone
Property Insights of (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone
The XLogP value of 4.8293 indicates that (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone. Following Lipinski's Rule of Five, (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone has 0 hydrogen bond donor(s) and 7 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 (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone?
The CAS number of (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone is 449765-80-4.
What is the molecular formula of (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone?
The molecular formula of (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone is C27H28N2O7.
What is the molecular weight of (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone?
The molecular weight of (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone is 492.19 g/mol.
Where can I buy (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone?
You can request a quote for (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-ethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.