Butyric acid, 4-fluoro-, isopropyl ester
TL;DR: Butyric acid, 4-fluoro-, isopropyl ester (CAS 63904-97-2) is a chemical compound with molecular formula C7H13FO2 and molecular weight 148.08995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 4-fluorobutanoate
Also Known As: propan-2-yl 4-fluorobutanoate, Isopropyl gamma-fluorobutyrate, TL 1142, 4-fluorobutyric acid isopropyl ester, BUTYRIC ACID, 4-FLUORO-, ISOPROPYL ESTER
Technical Specifications
| Molecular Formula | C7H13FO2 |
| Molecular Weight | 148.08995 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.08995 Da |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
| SMILES | CC(C)OC(=O)CCCF |
| InChIKey | FKRKAHYJNPEEPP-UHFFFAOYSA-N |
Chemical Property Profile of Butyric acid, 4-fluoro-, isopropyl ester
Property Insights of Butyric acid, 4-fluoro-, isopropyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 4-fluoro-, isopropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butyric acid, 4-fluoro-, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 4-fluoro-, isopropyl 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-, isopropyl ester?
The CAS number of Butyric acid, 4-fluoro-, isopropyl ester is 63904-97-2.
What is the molecular formula of Butyric acid, 4-fluoro-, isopropyl ester?
The molecular formula of Butyric acid, 4-fluoro-, isopropyl ester is C7H13FO2.
What is the molecular weight of Butyric acid, 4-fluoro-, isopropyl ester?
The molecular weight of Butyric acid, 4-fluoro-, isopropyl ester is 148.08995 g/mol.
Where can I buy Butyric acid, 4-fluoro-, isopropyl ester?
You can request a quote for Butyric acid, 4-fluoro-, isopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyric acid, 4-fluoro-, isopropyl ester?
Yes, CoreyChem provides custom synthesis services for Butyric acid, 4-fluoro-, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.