TL;DR: 4-{2-[(2-Hydroxyethyl)(phenyl)amino]ethoxy}-4-oxobut-2-enoic acid (CAS 15772-26-6) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.1107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[N-(2-hydroxyethyl)anilino]ethoxy]-4-oxobut-2-enoic acid
Also Known As: 2-Butenedioic acid (2Z)-, mono[2-[(2-hydroxyethyl)phenylamino]ethyl] ester, 4-{2-[(2-Hydroxyethyl)(phenyl)amino]ethoxy}-4-oxobut-2-enoic acid
| Molecular Formula | C14H17NO5 |
| Molecular Weight | 279.1107 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 279.1107 Da |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
| SMILES | C1=CC=C(C=C1)N(CCO)CCOC(=O)C=CC(=O)O |
| InChIKey | PTTYCKUPSLRLBP-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[(2-Hydroxyethyl)(phenyl)amino]ethoxy}-4-oxobut-2-enoic acid. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(2-Hydroxyethyl)(phenyl)amino]ethoxy}-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-{2-[(2-Hydroxyethyl)(phenyl)amino]ethoxy}-4-oxobut-2-enoic acid 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 4-{2-[(2-Hydroxyethyl)(phenyl)amino]ethoxy}-4-oxobut-2-enoic acid is 15772-26-6.
The molecular formula of 4-{2-[(2-Hydroxyethyl)(phenyl)amino]ethoxy}-4-oxobut-2-enoic acid is C14H17NO5.
The molecular weight of 4-{2-[(2-Hydroxyethyl)(phenyl)amino]ethoxy}-4-oxobut-2-enoic acid is 279.1107 g/mol.
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