Butyric acid, 4-fluoro-, ethyl ester
TL;DR: Butyric acid, 4-fluoro-, ethyl ester (CAS 63904-96-1) is a chemical compound with molecular formula C6H11FO2 and molecular weight 134.07431 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-fluorobutanoate
Also Known As: ethyl 4-fluorobutanoate, Ethyl gamma-fluorobutyrate, 4-Fluorobutanoicacidethylester, TL 619, 4-Fluorobutanoic acid ethyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11FO2 |
| Molecular Weight | 134.07431 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 134.07431 Da |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
| SMILES | CCOC(=O)CCCF |
| InChIKey | RWUMUWHQSCPDMP-UHFFFAOYSA-N |
Chemical Property Profile of Butyric acid, 4-fluoro-, ethyl ester
Property Insights of Butyric acid, 4-fluoro-, ethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 4-fluoro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butyric acid, 4-fluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 4-fluoro-, ethyl ester has 0 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 Butyric acid, 4-fluoro-, ethyl ester?
The CAS number of Butyric acid, 4-fluoro-, ethyl ester is 63904-96-1.
What is the molecular formula of Butyric acid, 4-fluoro-, ethyl ester?
The molecular formula of Butyric acid, 4-fluoro-, ethyl ester is C6H11FO2.
What is the molecular weight of Butyric acid, 4-fluoro-, ethyl ester?
The molecular weight of Butyric acid, 4-fluoro-, ethyl ester is 134.07431 g/mol.
Where can I buy Butyric acid, 4-fluoro-, ethyl ester?
You can request a quote for Butyric acid, 4-fluoro-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyric acid, 4-fluoro-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Butyric acid, 4-fluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.