TL;DR: 3-(4-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid (CAS 1009674-13-8) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Also Known As: 3-(4-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(4-phenoxybenzoyl)-, 3-(4-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylicAcid, 3-(4-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-4-carboxylic acid
| Molecular Formula | C19H17NO4 |
| Molecular Weight | 323.11575 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.11575 Da |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
| SMILES | C1C2C1C(N(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O |
| InChIKey | BZYPJYMCKWWCSL-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 3-(4-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid. Following Lipinski's Rule of Five, 3-(4-phenoxybenzoyl)-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-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid is 1009674-13-8.
The molecular formula of 3-(4-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid is C19H17NO4.
The molecular weight of 3-(4-phenoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid is 323.11575 g/mol.
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