4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
TL;DR: 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one (CAS 346691-31-4) is a chemical compound with molecular formula C19H19Cl2NO2 and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
Also Known As: BAS 00501131, 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one, 4-(2,4-Dichloro-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-butan-1-one, 2-[4-(2,4-dichlorophenoxy)butanoyl]-1,2,3,4-tetrahydroisoquinoline, 4-(2,4-dichlorophenoxy)-1-(3,4-dihydroisoquinolin-2(1H)-yl)butan-1-one
| Molecular Formula | C19H19Cl2NO2 |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 4.7373 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.07928 |
| Heavy Atoms | 24 |
| Complexity | 733.05676 |
Chemical Identifiers
| CAS Number | 346691-31-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl |
Product Overview
4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one (CAS 346691-31-4), with molecular formula C19H19Cl2NO2 and molecular weight 363.08 g/mol. IUPAC: 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one.
Chemical Property Profile of 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
Property Insights of 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
The XLogP value of 4.7373 indicates that 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one 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 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one?
The CAS number of 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one is 346691-31-4.
What is the molecular formula of 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one?
The molecular formula of 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one is C19H19Cl2NO2.
What is the molecular weight of 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one?
The molecular weight of 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one is 363.08 g/mol.
Where can I buy 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one?
You can request a quote for 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-dichlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.