TL;DR: VU0494173-1 (CAS 1052527-66-8) is a chemical compound with molecular formula C19H31ClN2O4 and molecular weight 386.19724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride
Also Known As: VU0494173-1, ethyl 4-(2-hydroxy-3-(2-isopropylphenoxy)propyl)piperazine-1-carboxylate hydrochloride, F1125-0015, ethyl 4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride, ethyl 4-{2-hydroxy-3-[2-(propan-2-yl)phenoxy]propyl}piperazine-1-carboxylate hydrochloride
| Molecular Formula | C19H31ClN2O4 |
| Molecular Weight | 386.19724 g/mol |
| XLogP | 2.7456 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.19724 Da |
| Heavy Atoms | 26 |
| Complexity | 397.0 |
| SMILES | CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2C(C)C)O.Cl |
| InChIKey | YZKVBOQJGRHXMO-UHFFFAOYSA-N |
The XLogP value of 2.7456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0494173-1. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0494173-1. Following Lipinski's Rule of Five, VU0494173-1 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 VU0494173-1 is 1052527-66-8.
The molecular formula of VU0494173-1 is C19H31ClN2O4.
The molecular weight of VU0494173-1 is 386.19724 g/mol.
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