VU0063953-2
TL;DR: VU0063953-2 (CAS 442556-17-4) is a chemical compound with molecular formula C26H26N2O8S2 and molecular weight 558.11 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]-N-(1,1-dioxothiolan-3-yl)-4,5-dimethoxybenzenesulfonamide
Also Known As: VU0063953-2, F1081-0070, AF-399/40960399, N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-4,5-dimethoxybenzenesulfonamide, N-(1,1-dioxo-1lambda6-thiolan-3-yl)-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-dimethoxybenzene-1-sulfonamide
| Molecular Formula | C26H26N2O8S2 |
|---|---|
| Molecular Weight | 558.11 g/mol |
| LogP | 2.1611 |
| Topological Polar Surface Area | 136.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 558.11304 |
| Heavy Atoms | 38 |
| Complexity | 1632.0588 |
Chemical Identifiers
| CAS Number | 442556-17-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)NC5CCS(=O)(=O)C5)OC |
Product Overview
VU0063953-2 (CAS 442556-17-4), with molecular formula C26H26N2O8S2 and molecular weight 558.11 g/mol. IUPAC: 2-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(1,1-dioxothiolan-3-yl)-4,5-dimethoxybenzenesulfonamide.
Chemical Property Profile of VU0063953-2
Property Insights of VU0063953-2
The XLogP value of 2.1611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0063953-2. The TPSA of 136.15 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0063953-2. Following Lipinski's Rule of Five, VU0063953-2 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0063953-2?
The CAS number of VU0063953-2 is 442556-17-4.
What is the molecular formula of VU0063953-2?
The molecular formula of VU0063953-2 is C26H26N2O8S2.
What is the molecular weight of VU0063953-2?
The molecular weight of VU0063953-2 is 558.11 g/mol.
Where can I buy VU0063953-2?
You can request a quote for VU0063953-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0063953-2?
Yes, KEHONG BIO provides custom synthesis services for VU0063953-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.