(1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone
TL;DR: (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone (CAS 672275-85-3) is a chemical compound with molecular formula C29H34N2O8 and molecular weight 538.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(5-nitrofuran-2-yl)methanone
Also Known As: (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone, [1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](5-nitrofuran-2-yl)methanone, [1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(5-nitrofuran-2-yl)methanone
| Molecular Formula | C29H34N2O8 |
|---|---|
| Molecular Weight | 538.23 g/mol |
| LogP | 5.7649 |
| Topological Polar Surface Area | 113.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 538.2315 |
| Heavy Atoms | 39 |
| Complexity | 1318.6116 |
Chemical Identifiers
| CAS Number | 672275-85-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(O4)[N+](=O)[O-])OCC)OCC)OCC |
Product Overview
(1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone (CAS 672275-85-3), with molecular formula C29H34N2O8 and molecular weight 538.23 g/mol. IUPAC: [1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(5-nitrofuran-2-yl)methanone.
Chemical Property Profile of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone
Property Insights of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone
The XLogP value of 5.7649 indicates that (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone. Following Lipinski's Rule of Five, (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone?
The CAS number of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone is 672275-85-3.
What is the molecular formula of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone?
The molecular formula of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone is C29H34N2O8.
What is the molecular weight of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone?
The molecular weight of (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone is 538.23 g/mol.
Where can I buy (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone?
You can request a quote for (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(5-nitrofuran-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.