1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone
TL;DR: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone (CAS 431986-32-2) is a chemical compound with molecular formula C19H21NO2 and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone
Also Known As: BAS 04087691, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone, BRD-K50301089-001-05-9, 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethyl-phenoxy)-ethanone, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3,4-dimethylphenoxy)ethanone
| Molecular Formula | C19H21NO2 |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | 3.26714 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.15723 |
| Heavy Atoms | 22 |
| Complexity | 693.5846 |
Chemical Identifiers
| CAS Number | 431986-32-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)C |
Product Overview
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone (CAS 431986-32-2), with molecular formula C19H21NO2 and molecular weight 295.16 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone.
Chemical Property Profile of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone
Property Insights of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone
The XLogP value of 3.26714 indicates that 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone has 0 hydrogen bond donor(s) and 2 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 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone?
The CAS number of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone is 431986-32-2.
What is the molecular formula of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone?
The molecular formula of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone is C19H21NO2.
What is the molecular weight of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone?
The molecular weight of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone is 295.16 g/mol.
Where can I buy 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone?
You can request a quote for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.