2-(1-Oxobutoxy)benzoic acid
TL;DR: 2-(1-Oxobutoxy)benzoic acid (CAS 71974-02-2) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butanoyloxybenzoic acid
Also Known As: Salicylic acid, butyrate, 2-butanoyloxybenzoic acid, butyrylsalicylic acid, 2-(butyryloxy)benzoic acid, O-butanoylsalicylic acid
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.07356 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | CCCC(=O)OC1=CC=CC=C1C(=O)O |
| InChIKey | WYPOHFPDZTUCMQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Oxobutoxy)benzoic acid
Property Insights of 2-(1-Oxobutoxy)benzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Oxobutoxy)benzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Oxobutoxy)benzoic acid. Following Lipinski's Rule of Five, 2-(1-Oxobutoxy)benzoic 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 2-(1-Oxobutoxy)benzoic acid?
The CAS number of 2-(1-Oxobutoxy)benzoic acid is 71974-02-2.
What is the molecular formula of 2-(1-Oxobutoxy)benzoic acid?
The molecular formula of 2-(1-Oxobutoxy)benzoic acid is C11H12O4.
What is the molecular weight of 2-(1-Oxobutoxy)benzoic acid?
The molecular weight of 2-(1-Oxobutoxy)benzoic acid is 208.07356 g/mol.
Where can I buy 2-(1-Oxobutoxy)benzoic acid?
You can request a quote for 2-(1-Oxobutoxy)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Oxobutoxy)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1-Oxobutoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.