4-Butoxy-2-fluorobenzoic acid
TL;DR: 4-Butoxy-2-fluorobenzoic acid (CAS 123843-54-9) is a chemical compound with molecular formula C11H13FO3 and molecular weight 212.08487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butoxy-2-fluorobenzoic acid
Also Known As: 4-butoxy-2-fluorobenzoic acid, Benzoic acid, 4-butoxy-2-fluoro-, 4-butoxy-2-fluoro-benzoic Acid, Benzoic acid,4-butoxy-2-fluoro-, 2-fluoro-4-butyloxybenzoic acid
Technical Specifications
| Molecular Formula | C11H13FO3 |
| Molecular Weight | 212.08487 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.08487 Da |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
| SMILES | CCCCOC1=CC(=C(C=C1)C(=O)O)F |
| InChIKey | FDDUDQLEOGNYIT-UHFFFAOYSA-N |
Chemical Property Profile of 4-Butoxy-2-fluorobenzoic acid
Property Insights of 4-Butoxy-2-fluorobenzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butoxy-2-fluorobenzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Butoxy-2-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxy-2-fluorobenzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Butoxy-2-fluorobenzoic acid?
The CAS number of 4-Butoxy-2-fluorobenzoic acid is 123843-54-9.
What is the molecular formula of 4-Butoxy-2-fluorobenzoic acid?
The molecular formula of 4-Butoxy-2-fluorobenzoic acid is C11H13FO3.
What is the molecular weight of 4-Butoxy-2-fluorobenzoic acid?
The molecular weight of 4-Butoxy-2-fluorobenzoic acid is 212.08487 g/mol.
Where can I buy 4-Butoxy-2-fluorobenzoic acid?
You can request a quote for 4-Butoxy-2-fluorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Butoxy-2-fluorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Butoxy-2-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.