TL;DR: VU0496996-1 (CAS 1105215-36-8) is a chemical compound with molecular formula C20H23N3O5S and molecular weight 417.13583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
Also Known As: VU0496996-1, F2761-0274, N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide, N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-(4-methoxybenzyl)oxalamide, N-[5-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)-2-methylphenyl]-N'-[(4-methoxyphenyl)methyl]ethanediamide
| Molecular Formula | C20H23N3O5S |
| Molecular Weight | 417.13583 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.13583 Da |
| Heavy Atoms | 29 |
| Complexity | 685.0 |
| SMILES | CC1=C(C=C(C=C1)N2CCCS2(=O)=O)NC(=O)C(=O)NCC3=CC=C(C=C3)OC |
| InChIKey | SDQDKDCZHSLVRI-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0496996-1. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0496996-1. Following Lipinski's Rule of Five, VU0496996-1 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of VU0496996-1 is 1105215-36-8.
The molecular formula of VU0496996-1 is C20H23N3O5S.
The molecular weight of VU0496996-1 is 417.13583 g/mol.
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