TL;DR: MBX2329 oxalate (CAS 1438272-42-4) is a chemical compound with molecular formula C18H27NO5 and molecular weight 337.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(2-ethylphenoxy)ethyl]azepane;oxalic acid
Also Known As: MBX2329 oxalate, 1-[2-(2-Ethyl-phenoxy)-ethyl]-azepane Oxalate, 1-[2-(2-ethylphenoxy)ethyl]azepane; oxalic acid, IUPAC: 1-[2-(2-ethylphenoxy)ethyl]azepane; Oxalic Acid
| Molecular Formula | C18H27NO5 |
| Molecular Weight | 337.18893 g/mol |
| XLogP | 2.6594 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.18893 Da |
| Heavy Atoms | 24 |
| Complexity | 283.0 |
| SMILES | CCC1=CC=CC=C1OCCN2CCCCCC2.C(=O)(C(=O)O)O |
| InChIKey | JPXFWSBWOUAPDW-UHFFFAOYSA-N |
The XLogP value of 2.6594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MBX2329 oxalate. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for MBX2329 oxalate. Following Lipinski's Rule of Five, MBX2329 oxalate 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 MBX2329 oxalate is 1438272-42-4.
The molecular formula of MBX2329 oxalate is C18H27NO5.
The molecular weight of MBX2329 oxalate is 337.18893 g/mol.
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