2-Phenoxybutanoic acid
TL;DR: 2-Phenoxybutanoic acid (CAS 13794-14-4) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenoxybutanoic acid
Also Known As: 2-Phenoxybutanoic acid, 2-Phenoxybutyric acid, Butanoic acid, 2-phenoxy-, phenoxybutyric acid, alpha-Phenoxybutyric acid
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.07864 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 Da |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| SMILES | CCC(C(=O)O)OC1=CC=CC=C1 |
| InChIKey | TVSPPYGAFOVROT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenoxybutanoic acid
Property Insights of 2-Phenoxybutanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenoxybutanoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Phenoxybutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenoxybutanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Phenoxybutanoic acid?
The CAS number of 2-Phenoxybutanoic acid is 13794-14-4.
What is the molecular formula of 2-Phenoxybutanoic acid?
The molecular formula of 2-Phenoxybutanoic acid is C10H12O3.
What is the molecular weight of 2-Phenoxybutanoic acid?
The molecular weight of 2-Phenoxybutanoic acid is 180.07864 g/mol.
Where can I buy 2-Phenoxybutanoic acid?
You can request a quote for 2-Phenoxybutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenoxybutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Phenoxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.