TL;DR: Methyl 2-{[(2-ethoxy-4-formylphenoxy)acetyl]amino}benzoate (CAS 838887-77-7) is a chemical compound with molecular formula C19H19NO6 and molecular weight 357.12125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]benzoate
Also Known As: methyl 2-{[(2-ethoxy-4-formylphenoxy)acetyl]amino}benzoate, Methyl 2-(2-(2-ethoxy-4-formylphenoxy)acetamido)benzoate, 3-methoxy-4-(4-methylbenzyloxy)benzoic acid, methyl 2-[2-(2-ethoxy-4-formylphenoxy)acetamido]benzoate, methyl 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]benzoate
| Molecular Formula | C19H19NO6 |
| Molecular Weight | 357.12125 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 357.12125 Da |
| Heavy Atoms | 26 |
| Complexity | 483.0 |
| SMILES | CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=CC=CC=C2C(=O)OC |
| InChIKey | NEKDGNOOLABZLP-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Methyl 2-{[(2-ethoxy-4-formylphenoxy)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(2-ethoxy-4-formylphenoxy)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(2-ethoxy-4-formylphenoxy)acetyl]amino}benzoate has 1 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 Methyl 2-{[(2-ethoxy-4-formylphenoxy)acetyl]amino}benzoate is 838887-77-7.
The molecular formula of Methyl 2-{[(2-ethoxy-4-formylphenoxy)acetyl]amino}benzoate is C19H19NO6.
The molecular weight of Methyl 2-{[(2-ethoxy-4-formylphenoxy)acetyl]amino}benzoate is 357.12125 g/mol.
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