TL;DR: Biphenyl-4,4'-dicarboxylic acid 4-isopropyl ester (CAS 728918-98-7) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-propan-2-yloxycarbonylphenyl)benzoic acid
Also Known As: Not Available, Biphenyl-4,4'-dicarboxylic acid 4-isopropyl ester, 4-(4-propan-2-yloxycarbonylphenyl)benzoic Acid, 4-(4-isopropoxycarbonylphenyl)benzoic acid, Biphenyl-4,4'-dicarboxylicacid4-isopropylester
| Molecular Formula | C17H16O4 |
| Molecular Weight | 284.10486 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.10486 Da |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O |
| InChIKey | FVYNVKAYQZUHIY-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Biphenyl-4,4'-dicarboxylic acid 4-isopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Biphenyl-4,4'-dicarboxylic acid 4-isopropyl ester. Following Lipinski's Rule of Five, Biphenyl-4,4'-dicarboxylic acid 4-isopropyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Biphenyl-4,4'-dicarboxylic acid 4-isopropyl ester is 728918-98-7.
The molecular formula of Biphenyl-4,4'-dicarboxylic acid 4-isopropyl ester is C17H16O4.
The molecular weight of Biphenyl-4,4'-dicarboxylic acid 4-isopropyl ester is 284.10486 g/mol.
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