(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone
TL;DR: (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone (CAS 680604-95-9) is a chemical compound with molecular formula C28H30N2O6 and molecular weight 490.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-nitrophenyl)methanone
Also Known As: (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone, F0535-0379, [6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-nitrophenyl)methanone, 6,7-dimethoxy-2-(2-nitrobenzoyl)-1-{[4-(propan-2-yl)phenoxy]methyl}-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C28H30N2O6 |
|---|---|
| Molecular Weight | 490.21 g/mol |
| LogP | 5.554 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.2104 |
| Heavy Atoms | 36 |
| Complexity | 1255.3948 |
Chemical Identifiers
| CAS Number | 680604-95-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4[N+](=O)[O-])OC)OC |
Product Overview
(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone (CAS 680604-95-9), with molecular formula C28H30N2O6 and molecular weight 490.21 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-nitrophenyl)methanone.
Chemical Property Profile of (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone
Property Insights of (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone
The XLogP value of 5.554 indicates that (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone. Following Lipinski's Rule of Five, (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone has 0 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 (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone?
The CAS number of (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone is 680604-95-9.
What is the molecular formula of (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone?
The molecular formula of (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone is C28H30N2O6.
What is the molecular weight of (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone?
The molecular weight of (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone is 490.21 g/mol.
Where can I buy (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone?
You can request a quote for (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.