TL;DR: 3-Biphenylacetic acid, 5-methoxy-4'-methyl- (CAS 51028-92-3) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-methoxy-5-(4-methylphenyl)phenyl]acetic acid
Also Known As: 5-Methoxy-4'-methyl-3-biphenylacetic acid, 3-BIPHENYLACETIC ACID, 5-METHOXY-4'-METHYL-, 5-Methoxy-4'-methyl-3-biphenylaceticacid, 2-[3-methoxy-5-(4-methylphenyl)phenyl]acetic acid, (5-Methoxy-4'-methyl[1,1'-biphenyl]-3-yl)acetic acid
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.10995 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.10995 Da |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
| SMILES | CC1=CC=C(C=C1)C2=CC(=CC(=C2)CC(=O)O)OC |
| InChIKey | XFYRRXPNORLDHG-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 3-Biphenylacetic acid, 5-methoxy-4'-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Biphenylacetic acid, 5-methoxy-4'-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Biphenylacetic acid, 5-methoxy-4'-methyl- 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 3-Biphenylacetic acid, 5-methoxy-4'-methyl- is 51028-92-3.
The molecular formula of 3-Biphenylacetic acid, 5-methoxy-4'-methyl- is C16H16O3.
The molecular weight of 3-Biphenylacetic acid, 5-methoxy-4'-methyl- is 256.10995 g/mol.
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