TL;DR: 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid (CAS 1009353-30-3) is a chemical compound with molecular formula C13H12FNO3 and molecular weight 249.08012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Also Known As: 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(4-fluorobenzoyl)-, 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylicAcid, 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-4-carboxylic acid
| Molecular Formula | C13H12FNO3 |
| Molecular Weight | 249.08012 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.08012 Da |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
| SMILES | C1C2C1C(N(C2)C(=O)C3=CC=C(C=C3)F)C(=O)O |
| InChIKey | GDVQTWSMSQVCRX-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid. With a topological polar surface area (TPSA) of 57.6 Ų, 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid 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 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid is 1009353-30-3.
The molecular formula of 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid is C13H12FNO3.
The molecular weight of 3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid is 249.08012 g/mol.
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