Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester
TL;DR: Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester (CAS 63867-09-4) is a chemical compound with molecular formula C5H3BrF6O2 and molecular weight 287.92206 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-bromo-2,3,3,4,4,4-hexafluorobutanoate
Also Known As: Methyl hexafluoro-2-bromobutyrate, methyl alpha-bromohexafluorobutyrate, methyl 2-bromo-2,3,3,4,4,4-hexafluorobutanoate, Methyl2,3,3,4,4,4-hexafluoro-2-bromobutyrate, Methyl 2,3,3,4,4,4-hexafluoro-2-bromobutyrate
Technical Specifications
| Molecular Formula | C5H3BrF6O2 |
| Molecular Weight | 287.92206 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.92206 Da |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
| SMILES | COC(=O)C(C(C(F)(F)F)(F)F)(F)Br |
| InChIKey | WICGPZDMJXOYON-UHFFFAOYSA-N |
Chemical Property Profile of Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester
Property Insights of Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester
The XLogP value of 3.0 indicates that Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester has 0 hydrogen bond donor(s) and 8 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, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester?
The CAS number of Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester is 63867-09-4.
What is the molecular formula of Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester?
The molecular formula of Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester is C5H3BrF6O2.
What is the molecular weight of Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester?
The molecular weight of Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester is 287.92206 g/mol.
Where can I buy Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester?
You can request a quote for Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.