TL;DR: Suberanilic Acid (CAS 1217115-53-1) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-anilino-8-oxooctanoic acid
Also Known As: Suberanilic Acid, 8-oxo-8-(phenylamino)octanoic acid, Suberanilsaure, 7-(phenylcarbamoyl)heptanoic acid, 8-anilino-8-oxooctanoic acid
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.13649 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 249.13649 Da |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)O |
| InChIKey | PAXDAFSGJPGLGR-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Suberanilic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Suberanilic Acid. Following Lipinski's Rule of Five, Suberanilic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Suberanilic Acid is 1217115-53-1.
The molecular formula of Suberanilic Acid is C14H19NO3.
The molecular weight of Suberanilic Acid is 249.13649 g/mol.
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