2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
TL;DR: 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 896596-23-9) is a chemical compound with molecular formula C23H31NO3 and molecular weight 369.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-(1-adamantyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone, 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
| Molecular Formula | C23H31NO3 |
|---|---|
| Molecular Weight | 369.23 g/mol |
| LogP | 4.195 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.2304 |
| Heavy Atoms | 27 |
| Complexity | 720.9513 |
Chemical Identifiers
| CAS Number | 896596-23-9 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CC34CC5CC(C3)CC(C5)C4)OC |
Product Overview
2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 896596-23-9), with molecular formula C23H31NO3 and molecular weight 369.23 g/mol. IUPAC: 2-(1-adamantyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Property Insights of 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
The XLogP value of 4.195 indicates that 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The CAS number of 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 896596-23-9.
What is the molecular formula of 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular formula of 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is C23H31NO3.
What is the molecular weight of 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular weight of 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 369.23 g/mol.
Where can I buy 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
You can request a quote for 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((3r,5r,7r)-adamantan-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.