(3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
TL;DR: (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 680605-34-9) is a chemical compound with molecular formula C31H39NO4 and molecular weight 489.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Also Known As: (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone, F0535-0519, 1-adamantyl-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone, 2-(adamantane-1-carbonyl)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C31H39NO4 |
|---|---|
| Molecular Weight | 489.29 g/mol |
| LogP | 6.04184 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.2879 |
| Heavy Atoms | 36 |
| Complexity | 1115.8716 |
Chemical Identifiers
| CAS Number | 680605-34-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C45CC6CC(C4)CC(C6)C5)OC)OC)C |
Product Overview
(3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 680605-34-9), with molecular formula C31H39NO4 and molecular weight 489.29 g/mol. IUPAC: 1-adamantyl-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
Chemical Property Profile of (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Property Insights of (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 6.04184 indicates that (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)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, (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)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, (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)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 (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 680605-34-9.
What is the molecular formula of (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is C31H39NO4.
What is the molecular weight of (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 489.29 g/mol.
Where can I buy (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)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 (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3r,5r,7r)-adamantan-1-yl(1-((3,5-dimethylphenoxy)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.