Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
TL;DR: Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester (CAS 356-27-4) is a chemical compound with molecular formula C6H5F7O2 and molecular weight 242.01778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Ethyl heptafluorobutyrate, Ethyl perfluorobutyrate, Ethyl heptafluorobutanoate, Ethyl perfluorobutanoate, Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5F7O2 |
| Molecular Weight | 242.01778 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.01778 Da |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| SMILES | CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | JVHJRIQPDBCRRE-UHFFFAOYSA-N |
Product Description
Applications: Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester (CAS 356-27-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester is a heterocyclic building block identified by CAS number 356-27-4 and the molecular formula C6H5F7O2 and a molecular weight of 242.02 g/mol. It is also known as Ethyl heptafluorobutyrate and Ethyl perfluorobutyrate.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
Property Insights of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester?
The CAS number of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester is 356-27-4.
What is the molecular formula of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester?
The molecular formula of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester is C6H5F7O2.
What is the molecular weight of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester?
The molecular weight of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester is 242.01778 g/mol.
What are the applications of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester?
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester?
You can request a quote for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.