![2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one structure](/static/products/898/898418-19-4.png)
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one
TL;DR: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one (CAS 898418-19-4) is a chemical compound with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one
Also Known As: F2617-1096, 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one, 5-[(4-nitrophenyl)methoxy]-2-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4H-pyran-4-one, 2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-((4-nitrobenzyl)oxy)-4H-pyran-4-one, 5-[(p-nitrophenyl)methoxy]-2-[(1,2,3,4-tetrahydro-2-isoquinolyl)methyl]-4H-pyran-4-one
| Molecular Formula | C22H20N2O5 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 3.6853 |
| Topological Polar Surface Area | 85.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1372 |
| Heavy Atoms | 29 |
| Complexity | 1075.0608 |
Chemical Identifiers
| CAS Number | 898418-19-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one (CAS 898418-19-4), with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol. IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one.
Chemical Property Profile of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one
Property Insights of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one
The XLogP value of 3.6853 indicates that 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one. Following Lipinski's Rule of Five, 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one has 0 hydrogen bond donor(s) and 6 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-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one?
The CAS number of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one is 898418-19-4.
What is the molecular formula of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one?
The molecular formula of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one is C22H20N2O5.
What is the molecular weight of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one?
The molecular weight of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one is 392.14 g/mol.
Where can I buy 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one?
You can request a quote for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-nitrophenyl)methoxy]pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.