(2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
TL;DR: (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 680604-78-8) is a chemical compound with molecular formula C28H29Cl2NO4 and molecular weight 513.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)-[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Also Known As: (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone, F0535-0356, (2,4-dichlorophenyl)-[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone, 2-(2,4-dichlorobenzoyl)-6,7-dimethoxy-1-{[4-(propan-2-yl)phenoxy]methyl}-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C28H29Cl2NO4 |
|---|---|
| Molecular Weight | 513.15 g/mol |
| LogP | 6.9526 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.14734 |
| Heavy Atoms | 35 |
| Complexity | 1210.3243 |
Chemical Identifiers
| CAS Number | 680604-78-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=C(C=C(C=C4)Cl)Cl)OC)OC |
Product Overview
(2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 680604-78-8), with molecular formula C28H29Cl2NO4 and molecular weight 513.15 g/mol. IUPAC: (2,4-dichlorophenyl)-[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
Chemical Property Profile of (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Property Insights of (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 6.9526 indicates that (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 680604-78-8.
What is the molecular formula of (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is C28H29Cl2NO4.
What is the molecular weight of (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 513.15 g/mol.
Where can I buy (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2,4-dichlorophenyl)(1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.