TL;DR: 3-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1212372-37-6) is a chemical compound with molecular formula C15H16FNO4 and molecular weight 293.10632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-((3-fluoro-4-methylphenyl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(3-fluoro-4-methylanilino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[N-(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxyl ic acid
| Molecular Formula | C15H16FNO4 |
| Molecular Weight | 293.10632 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.10632 Da |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)F |
| InChIKey | TZFORGPZIAVOKJ-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 1212372-37-6.
The molecular formula of 3-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C15H16FNO4.
The molecular weight of 3-[(3-fluoro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 293.10632 g/mol.
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