4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one
TL;DR: 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one (CAS 15997-82-7) is a chemical compound with molecular formula C19H20FNO and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)butan-1-one
Also Known As: BAS 02975066, AO-365/15162067, 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)butan-1-one, 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one, 2-((4-(4-Fluorophenyl)-4-oxobutyl))-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C19H20FNO |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1529 |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 15997-82-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | NMALCZJKSYZTRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one (CAS 15997-82-7), with molecular formula C19H20FNO and molecular weight 297.15 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one
Property Insights of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one
The XLogP value of 3.6 indicates that 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one 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 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one?
The CAS number of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one is 15997-82-7.
What is the molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one?
The molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one is C19H20FNO.
What is the molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one?
The molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one is 297.15 g/mol.
Where can I buy 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one?
You can request a quote for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)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-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.