![6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline structure](/static/products/4497/449765-99-5.webp)
6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 449765-99-5) is a chemical compound with molecular formula C31H36N2O9 and molecular weight 580.24 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]-(3,4,5-triethoxyphenyl)methanone
Also Known As: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline, F0535-0673, (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3,4,5-triethoxyphenyl)methanone, [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone
| Molecular Formula | C31H36N2O9 |
|---|---|
| Molecular Weight | 580.24 g/mol |
| LogP | 5.6267 |
| Topological Polar Surface Area | 118.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 580.24207 |
| Heavy Atoms | 42 |
| Complexity | 1381.2555 |
Chemical Identifiers
| CAS Number | 449765-99-5 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC |
Product Overview
6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 449765-99-5), with molecular formula C31H36N2O9 and molecular weight 580.24 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone.
Chemical Property Profile of 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 5.6267 indicates that 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline is 449765-99-5.
What is the molecular formula of 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline is C31H36N2O9.
What is the molecular weight of 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline is 580.24 g/mol.
Where can I buy 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline 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]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-(3,4,5-triethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.