TL;DR: 2-(Biphenyl-2-yl)-2-oxoacetaldehyde (CAS 109473-28-1) is a chemical compound with molecular formula C13H14N2O8S and molecular weight 358.0471 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-oxo-4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-dioxolan-4-yl]acetic acid
Also Known As: 2-(Biphenyl-2-yl)-2-oxoacetaldehyde, 4-19-00-03867 (Beilstein Handbook Reference), 2-(Hydroxymethoxy)-2-((p-sulfamoylphenylcarbamoyl)methyl)succinic acid gamma-lactone, Succinic acid, 2-(hydroxymethoxy)-2-((p-sulfamoylphenylcarbamoyl)methyl)-, gamma-lactone, 1,3-Dioxolane-4-aceticacid, 4-[2-[[4-(aminosulfonyl)phenyl]amino]-2-oxoethyl]-5-oxo-
| Molecular Formula | C13H14N2O8S |
| Molecular Weight | 358.0471 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.0471 Da |
| Heavy Atoms | 24 |
| Complexity | 620.0 |
| SMILES | C1OC(=O)C(O1)(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)O |
| InChIKey | SSCBDXSGZUYGCU-UHFFFAOYSA-N |
The XLogP value of -1.4 indicates that 2-(Biphenyl-2-yl)-2-oxoacetaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting 2-(Biphenyl-2-yl)-2-oxoacetaldehyde may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(Biphenyl-2-yl)-2-oxoacetaldehyde has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Biphenyl-2-yl)-2-oxoacetaldehyde is 109473-28-1.
The molecular formula of 2-(Biphenyl-2-yl)-2-oxoacetaldehyde is C13H14N2O8S.
The molecular weight of 2-(Biphenyl-2-yl)-2-oxoacetaldehyde is 358.0471 g/mol.
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