TL;DR: Propionic acid, beta-(beta-isodurylyl)- (CAS 63815-32-7) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoic acid
Also Known As: Propionic acid, beta-(beta-isodurylyl)-, 2-methyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoic acid, 3-(2,4,6-Trimethoxybenzoyl)propionic acid, 2,2'-hexanediyldioxy-di-benzaldehyde, alpha,2,4,6-Tetramethyl-beta-oxobenzenepropionic acid
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.10994 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.10994 Da |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)C(C)C(=O)O)C |
| InChIKey | BNXYGYJTTAFHEE-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Propionic acid, beta-(beta-isodurylyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Propionic acid, beta-(beta-isodurylyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, beta-(beta-isodurylyl)- has 1 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 Propionic acid, beta-(beta-isodurylyl)- is 63815-32-7.
The molecular formula of Propionic acid, beta-(beta-isodurylyl)- is C13H16O3.
The molecular weight of Propionic acid, beta-(beta-isodurylyl)- is 220.10994 g/mol.
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