TL;DR: Benzoic acid, 4-hydroxy-3-morpholinomethyl-, ethyl ester (CAS 78330-02-6) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)benzoate
Also Known As: Ethyl 4-hydroxy-3-morpholinomethylbenzoate, 4-Hydroxy-3-morpholinomethylbenzoic acid ethyl ester, BENZOIC ACID, 4-HYDROXY-3-MORPHOLINOMETHYL-, ETHYL ESTER, ethyl 4-hydroxy-3-[(morpholin-4-yl)methyl]benzoate, ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)benzoate
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.1314 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.1314 Da |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1)O)CN2CCOCC2 |
| InChIKey | LHTGLKDOIOFXHF-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-hydroxy-3-morpholinomethyl-, ethyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Benzoic acid, 4-hydroxy-3-morpholinomethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-hydroxy-3-morpholinomethyl-, ethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzoic acid, 4-hydroxy-3-morpholinomethyl-, ethyl ester is 78330-02-6.
The molecular formula of Benzoic acid, 4-hydroxy-3-morpholinomethyl-, ethyl ester is C14H19NO4.
The molecular weight of Benzoic acid, 4-hydroxy-3-morpholinomethyl-, ethyl ester is 265.1314 g/mol.
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