![2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide structure](/static/products/4520/452089-56-4.webp)
2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide
TL;DR: 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide (CAS 452089-56-4) is a chemical compound with molecular formula C27H28N2O7S and molecular weight 524.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
Also Known As: 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide, AF-399/40960592, F1081-0015, 2-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)-4,5-dimethoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide, 2-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
| Molecular Formula | C27H28N2O7S |
|---|---|
| Molecular Weight | 524.16 g/mol |
| LogP | 3.153 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 524.16174 |
| Heavy Atoms | 37 |
| Complexity | 1428.8481 |
Chemical Identifiers
| CAS Number | 452089-56-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)NCC5CCCO5)OC |
Product Overview
2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide (CAS 452089-56-4), with molecular formula C27H28N2O7S and molecular weight 524.16 g/mol. IUPAC: 2-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.
Chemical Property Profile of 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide
Property Insights of 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide
The XLogP value of 3.153 indicates that 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide. Following Lipinski's Rule of Five, 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide?
The CAS number of 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide is 452089-56-4.
What is the molecular formula of 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide?
The molecular formula of 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide is C27H28N2O7S.
What is the molecular weight of 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide?
The molecular weight of 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide is 524.16 g/mol.
Where can I buy 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide?
You can request a quote for 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxy-N-((tetrahydrofuran-2-yl)methyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.