(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone
TL;DR: (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone (CAS 681153-89-9) is a chemical compound with molecular formula C31H31NO4 and molecular weight 481.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-2-ylmethanone
Also Known As: (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone, F0535-0566, [1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-2-ylmethanone, 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-2-(naphthalene-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C31H31NO4 |
|---|---|
| Molecular Weight | 481.23 g/mol |
| LogP | 6.29244 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.2253 |
| Heavy Atoms | 36 |
| Complexity | 1407.5293 |
Chemical Identifiers
| CAS Number | 681153-89-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC5=CC=CC=C5C=C4)OC)OC)C |
Product Overview
(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone (CAS 681153-89-9), with molecular formula C31H31NO4 and molecular weight 481.23 g/mol. IUPAC: [1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-2-ylmethanone.
Chemical Property Profile of (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone
Property Insights of (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone
The XLogP value of 6.29244 indicates that (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-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, (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-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 (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone?
The CAS number of (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone is 681153-89-9.
What is the molecular formula of (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone?
The molecular formula of (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone is C31H31NO4.
What is the molecular weight of (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone?
The molecular weight of (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone is 481.23 g/mol.
Where can I buy (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone?
You can request a quote for (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-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-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(naphthalen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.