TL;DR: 4-Oxo-4-[2-(phenoxyacetyl)hydrazinyl]butanoic acid (CAS 161954-94-5) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoic acid
Also Known As: BAS 00632119, 4-oxo-4-[2-(phenoxyacetyl)hydrazinyl]butanoic acid, 4-Oxo-4-(2-(2-phenoxyacetyl)hydrazinyl)butanoic acid, 4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoic acid, 4-oxo-4-[2-(phenoxyacetyl)hydrazino]butanoic acid
| Molecular Formula | C12H14N2O5 |
| Molecular Weight | 266.09027 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.09027 Da |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
| SMILES | C1=CC=C(C=C1)OCC(=O)NNC(=O)CCC(=O)O |
| InChIKey | PCJCPGOIDPCYEG-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-[2-(phenoxyacetyl)hydrazinyl]butanoic acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-[2-(phenoxyacetyl)hydrazinyl]butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-[2-(phenoxyacetyl)hydrazinyl]butanoic acid has 3 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 4-Oxo-4-[2-(phenoxyacetyl)hydrazinyl]butanoic acid is 161954-94-5.
The molecular formula of 4-Oxo-4-[2-(phenoxyacetyl)hydrazinyl]butanoic acid is C12H14N2O5.
The molecular weight of 4-Oxo-4-[2-(phenoxyacetyl)hydrazinyl]butanoic acid is 266.09027 g/mol.
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