Perfluorobutyrate
TL;DR: Perfluorobutyrate (CAS 45048-62-2) is a chemical compound with molecular formula C4F7O2- and molecular weight 212.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: perfluorobutyrate, perfluorobutanoate, heptafluorobutyrate, heptafluorobutanoate, PFBA ion
| Molecular Formula | C4F7O2- |
|---|---|
| Molecular Weight | 212.98 g/mol |
| LogP | 0.5692 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.97865 |
| Heavy Atoms | 13 |
| Complexity | 217.02266 |
Chemical Identifiers
| CAS Number | 45048-62-2 |
|---|---|
| SMILES | C(=O)(C(C(C(F)(F)F)(F)F)(F)F)[O-] |
Product Overview
Perfluorobutyrate (CAS 45048-62-2), with molecular formula C4F7O2- and molecular weight 212.98 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Perfluorobutyrate
Property Insights of Perfluorobutyrate
The XLogP value of 0.5692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perfluorobutyrate. With a topological polar surface area (TPSA) of 40.13 Ų, Perfluorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluorobutyrate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Perfluorobutyrate?
The CAS number of Perfluorobutyrate is 45048-62-2.
What is the molecular formula of Perfluorobutyrate?
The molecular formula of Perfluorobutyrate is C4F7O2-.
What is the molecular weight of Perfluorobutyrate?
The molecular weight of Perfluorobutyrate is 212.98 g/mol.
Where can I buy Perfluorobutyrate?
You can request a quote for Perfluorobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Perfluorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.