3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one
TL;DR: 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one (CAS 149539-10-6) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dihydro-1H-isoquinolin-2-yl)-3H-2-benzofuran-1-one
Also Known As: IDI1_023078, 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one, 3-(3,4-dihydro-1H-isoquinolin-2-yl)-3H-2-benzofuran-1-one, 3-(3,4-dihydroisoquinolin-2(1H)-yl)isobenzofuran-1(3H)-one, 3-(2-1,2,3,4-tetrahydroisoquinolyl)-3-hydroisobenzofuran-1-one
Technical Specifications
| Molecular Formula | C17H15NO2 |
| Molecular Weight | 265.1103 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.1103 Da |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
| SMILES | C1CN(CC2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3 |
| InChIKey | YSEZHQBTJVAGTP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one
Property Insights of 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one
The XLogP value of 3.0 indicates that 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-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
What is the CAS number of 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one?
The CAS number of 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one is 149539-10-6.
What is the molecular formula of 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one?
The molecular formula of 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one is C17H15NO2.
What is the molecular weight of 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one?
The molecular weight of 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one is 265.1103 g/mol.
Where can I buy 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one?
You can request a quote for 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.