TL;DR: Butanoic acid, 4-[(1-oxo-2-propenyl)oxy]- (CAS 141681-03-0) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-prop-2-enoyloxybutanoic acid
Also Known As: 4-prop-2-enoyloxybutanoic Acid, 4-(Acryloyloxy)butanoic acid, Butanoic acid, 4-[(1-oxo-2-propenyl)oxy]-, Acrylic acid 3-carboxypropyl ester, 4-[(Prop-2-enoyl)oxy]butanoic acid
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.0579 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.0579 Da |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
| SMILES | C=CC(=O)OCCCC(=O)O |
| InChIKey | HEMYIEDNNZJZSV-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-[(1-oxo-2-propenyl)oxy]-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-[(1-oxo-2-propenyl)oxy]-. Following Lipinski's Rule of Five, Butanoic acid, 4-[(1-oxo-2-propenyl)oxy]- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Butanoic acid, 4-[(1-oxo-2-propenyl)oxy]- is 141681-03-0.
The molecular formula of Butanoic acid, 4-[(1-oxo-2-propenyl)oxy]- is C7H10O4.
The molecular weight of Butanoic acid, 4-[(1-oxo-2-propenyl)oxy]- is 158.0579 g/mol.
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