TL;DR: VU0494459-1 (CAS 1185470-05-6) is a chemical compound with molecular formula C26H34N2O7 and molecular weight 486.2366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone;oxalic acid
Also Known As: VU0494459-1, F1725-0021, (4-(3-(4-(tert-butyl)phenoxy)-2-hydroxypropyl)piperazin-1-yl)(phenyl)methanone oxalate, [4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone;oxalic acid, [4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone; oxalic acid
| Molecular Formula | C26H34N2O7 |
| Molecular Weight | 486.2366 g/mol |
| XLogP | 2.3374 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.2366 Da |
| Heavy Atoms | 35 |
| Complexity | 568.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O.C(=O)(C(=O)O)O |
| InChIKey | LUDDFEQOIKVYIY-UHFFFAOYSA-N |
The XLogP value of 2.3374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0494459-1. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0494459-1. Following Lipinski's Rule of Five, VU0494459-1 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of VU0494459-1 is 1185470-05-6.
The molecular formula of VU0494459-1 is C26H34N2O7.
The molecular weight of VU0494459-1 is 486.2366 g/mol.
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