Methyl nonafluorobutanesulfonate
TL;DR: Methyl nonafluorobutanesulfonate (CAS 6401-03-2) is a chemical compound with molecular formula C5H3F9O3S and molecular weight 313.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Also Known As: Methyl nonaflate, methyl nonafluorobutanesulfonate, methylnonafluorobutanesulfonate, methyl perfluorobutanesulfonate, Methyl nonafluorobutane-1-sulphonate
| Molecular Formula | C5H3F9O3S |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 2.3883 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.9659 |
| Heavy Atoms | 18 |
| Complexity | 408.40927 |
Chemical Identifiers
| CAS Number | 6401-03-2 |
|---|---|
| SMILES | COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
Product Overview
Methyl nonafluorobutanesulfonate (CAS 6401-03-2), with molecular formula C5H3F9O3S and molecular weight 313.97 g/mol. IUPAC: methyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
Chemical Property Profile of Methyl nonafluorobutanesulfonate
Property Insights of Methyl nonafluorobutanesulfonate
The XLogP value of 2.3883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl nonafluorobutanesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl nonafluorobutanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl nonafluorobutanesulfonate 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 Methyl nonafluorobutanesulfonate?
The CAS number of Methyl nonafluorobutanesulfonate is 6401-03-2.
What is the molecular formula of Methyl nonafluorobutanesulfonate?
The molecular formula of Methyl nonafluorobutanesulfonate is C5H3F9O3S.
What is the molecular weight of Methyl nonafluorobutanesulfonate?
The molecular weight of Methyl nonafluorobutanesulfonate is 313.97 g/mol.
Where can I buy Methyl nonafluorobutanesulfonate?
You can request a quote for Methyl nonafluorobutanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl nonafluorobutanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl nonafluorobutanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.