TL;DR: 1-(4-Iodophenyl)cyclopentanecarboxylic acid (CAS 135569-28-7) is a chemical compound with molecular formula C12H13IO2 and molecular weight 315.99603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-iodophenyl)cyclopentane-1-carboxylic acid
Also Known As: 1-(4-iodophenyl)cyclopentanecarboxylic acid, 1-(4-iodophenyl)cyclopentane-1-carboxylic Acid, 1-(4-iodophenyl)-1-cyclopentanecarboxylic acid, Cyclopentanecarboxylic acid, 1-(4-iodophenyl)-, C12H13IO2
| Molecular Formula | C12H13IO2 |
| Molecular Weight | 315.99603 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.99603 Da |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
| SMILES | C1CCC(C1)(C2=CC=C(C=C2)I)C(=O)O |
| InChIKey | SLQJYMQCVGGGCO-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 1-(4-Iodophenyl)cyclopentanecarboxylic 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, 1-(4-Iodophenyl)cyclopentanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Iodophenyl)cyclopentanecarboxylic 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 1-(4-Iodophenyl)cyclopentanecarboxylic acid is 135569-28-7.
The molecular formula of 1-(4-Iodophenyl)cyclopentanecarboxylic acid is C12H13IO2.
The molecular weight of 1-(4-Iodophenyl)cyclopentanecarboxylic acid is 315.99603 g/mol.
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