2-Fluoro-4-octyloxybenzoic acid
TL;DR: 2-Fluoro-4-octyloxybenzoic acid (CAS 128895-76-1) is a chemical compound with molecular formula C15H21FO3 and molecular weight 268.14746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-4-octoxybenzoic acid
Also Known As: 2-Fluoro-4-octyloxybenzoic acid, 2-fluoro-4-octoxybenzoic acid, 2-Fluoro-4-n-octyloxybenzoic acid, 2-fluoro-4-(octyloxy)benzoic acid, Benzoicacid, 2-fluoro-4-(octyloxy)-
Technical Specifications
| Molecular Formula | C15H21FO3 |
| Molecular Weight | 268.14746 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 268.14746 Da |
| Heavy Atoms | 19 |
| Complexity | 258.0 |
| SMILES | CCCCCCCCOC1=CC(=C(C=C1)C(=O)O)F |
| InChIKey | AWPDESKDPDUKRX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Fluoro-4-octyloxybenzoic acid
Property Insights of 2-Fluoro-4-octyloxybenzoic acid
The XLogP value of 5.1 indicates that 2-Fluoro-4-octyloxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Fluoro-4-octyloxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-octyloxybenzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Fluoro-4-octyloxybenzoic acid?
The CAS number of 2-Fluoro-4-octyloxybenzoic acid is 128895-76-1.
What is the molecular formula of 2-Fluoro-4-octyloxybenzoic acid?
The molecular formula of 2-Fluoro-4-octyloxybenzoic acid is C15H21FO3.
What is the molecular weight of 2-Fluoro-4-octyloxybenzoic acid?
The molecular weight of 2-Fluoro-4-octyloxybenzoic acid is 268.14746 g/mol.
Where can I buy 2-Fluoro-4-octyloxybenzoic acid?
You can request a quote for 2-Fluoro-4-octyloxybenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-4-octyloxybenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-4-octyloxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.