TL;DR: VU0494179-1 (CAS 1052530-95-6) 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-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride
Also Known As: VU0494179-1, F1125-0089, ethyl 4-(2-hydroxy-3-(1-phenylpropoxy)propyl)piperazine-1-carboxylate hydrochloride, ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate hydrochloride, ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride
| Molecular Formula | C19H31ClN2O4 |
| Molecular Weight | 386.19724 g/mol |
| XLogP | 2.7111 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.19724 Da |
| Heavy Atoms | 26 |
| Complexity | 380.0 |
| SMILES | CCC(C1=CC=CC=C1)OCC(CN2CCN(CC2)C(=O)OCC)O.Cl |
| InChIKey | GWXDHBINNOGOEC-UHFFFAOYSA-N |
The XLogP value of 2.7111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0494179-1. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0494179-1. Following Lipinski's Rule of Five, VU0494179-1 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 VU0494179-1 is 1052530-95-6.
The molecular formula of VU0494179-1 is C19H31ClN2O4.
The molecular weight of VU0494179-1 is 386.19724 g/mol.
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