TL;DR: Propanoic acid, 3-methoxy-, ethyl ester (CAS 10606-42-5) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-methoxypropanoate
Also Known As: Ethyl 3-methoxypropanoate, Ethyl 3-methoxypropionate, 3-Methoxypropionic Acid Ethyl Ester, Propanoic acid, 3-methoxy-, ethyl ester, ethyl3-methoxypropionate
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.07864 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.07864 Da |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| SMILES | CCOC(=O)CCOC |
| InChIKey | IJUHLFUALMUWOM-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-methoxy-, ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Propanoic acid, 3-methoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-methoxy-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanoic acid, 3-methoxy-, ethyl ester is 10606-42-5.
The molecular formula of Propanoic acid, 3-methoxy-, ethyl ester is C6H12O3.
The molecular weight of Propanoic acid, 3-methoxy-, ethyl ester is 132.07864 g/mol.
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