TL;DR: 3-(2'-Chloro-[1,1'-biphenyl]-3-yl)propanoic acid (CAS 1267453-99-5) is a chemical compound with molecular formula C15H13ClO2 and molecular weight 260.0604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(2-chlorophenyl)phenyl]propanoic acid
Also Known As: 3-(2'-Chloro-[1,1'-biphenyl]-3-yl)propanoic acid, A1-50718
| Molecular Formula | C15H13ClO2 |
| Molecular Weight | 260.0604 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0604 Da |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
| SMILES | C1=CC=C(C(=C1)C2=CC=CC(=C2)CCC(=O)O)Cl |
| InChIKey | MFIWMJFABZZFCY-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 3-(2'-Chloro-[1,1'-biphenyl]-3-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2'-Chloro-[1,1'-biphenyl]-3-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2'-Chloro-[1,1'-biphenyl]-3-yl)propanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(2'-Chloro-[1,1'-biphenyl]-3-yl)propanoic acid is 1267453-99-5.
The molecular formula of 3-(2'-Chloro-[1,1'-biphenyl]-3-yl)propanoic acid is C15H13ClO2.
The molecular weight of 3-(2'-Chloro-[1,1'-biphenyl]-3-yl)propanoic acid is 260.0604 g/mol.
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