TL;DR: 2-Propenoic acid, 2-(acetylamino)-3-[3-(acetyloxy)phenyl]- (CAS 143815-45-6) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetamido-3-(3-acetyloxyphenyl)prop-2-enoic acid
Also Known As: 2-Propenoic acid, 2-(acetylamino)-3-[3-(acetyloxy)phenyl]-, 2-acetamido-3-(3-acetyloxyphenyl)prop-2-enoic Acid, 2-Acetamido-3-[3-(acetyloxy)phenyl]prop-2-enoic acid
| Molecular Formula | C13H13NO5 |
| Molecular Weight | 263.07938 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07938 Da |
| Heavy Atoms | 19 |
| Complexity | 402.0 |
| SMILES | CC(=O)NC(=CC1=CC(=CC=C1)OC(=O)C)C(=O)O |
| InChIKey | OZNWIOSZOYOKSG-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-(acetylamino)-3-[3-(acetyloxy)phenyl]-. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-(acetylamino)-3-[3-(acetyloxy)phenyl]-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-(acetylamino)-3-[3-(acetyloxy)phenyl]- has 2 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 2-Propenoic acid, 2-(acetylamino)-3-[3-(acetyloxy)phenyl]- is 143815-45-6.
The molecular formula of 2-Propenoic acid, 2-(acetylamino)-3-[3-(acetyloxy)phenyl]- is C13H13NO5.
The molecular weight of 2-Propenoic acid, 2-(acetylamino)-3-[3-(acetyloxy)phenyl]- is 263.07938 g/mol.
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