Perfluorobutanesulfonate
TL;DR: Perfluorobutanesulfonate (CAS 45187-15-3) is a chemical compound with molecular formula C4F9O3S- and molecular weight 298.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Also Known As: perfluorobutanesulfonate, perfluorbutane sulfonate, nonafluorobutanesulfonate, perfluorobutane sulfonate, nonafluorobutane-1-sulfonate
| Molecular Formula | C4F9O3S- |
|---|---|
| Molecular Weight | 298.94 g/mol |
| LogP | 1.9573 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.94244 |
| Heavy Atoms | 17 |
| Complexity | 392.95425 |
Chemical Identifiers
| CAS Number | 45187-15-3 |
|---|---|
| SMILES | C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F |
Product Overview
Perfluorobutanesulfonate (CAS 45187-15-3), with molecular formula C4F9O3S- and molecular weight 298.94 g/mol. IUPAC: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
Chemical Property Profile of Perfluorobutanesulfonate
Property Insights of Perfluorobutanesulfonate
The XLogP value of 1.9573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perfluorobutanesulfonate. With a topological polar surface area (TPSA) of 57.2 Ų, Perfluorobutanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluorobutanesulfonate 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
Frequently Asked Questions
What is the CAS number of Perfluorobutanesulfonate?
The CAS number of Perfluorobutanesulfonate is 45187-15-3.
What is the molecular formula of Perfluorobutanesulfonate?
The molecular formula of Perfluorobutanesulfonate is C4F9O3S-.
What is the molecular weight of Perfluorobutanesulfonate?
The molecular weight of Perfluorobutanesulfonate is 298.94 g/mol.
Where can I buy Perfluorobutanesulfonate?
You can request a quote for Perfluorobutanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluorobutanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Perfluorobutanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.