(3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
TL;DR: (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CAS 93131-76-1) is a chemical compound with molecular formula C18H21F9O3S and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Also Known As: (3,5-ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate, 3,5-Di-tert-butylphenyl nonafluorobutane-1-sulfonate, (3,5-ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-, RefChem:207431
| Molecular Formula | C18H21F9O3S |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.10678 |
| Heavy Atoms | 31 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 93131-76-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C)(C)C |
| InChIKey | JJXRDJHWYXYJJM-UHFFFAOYSA-N |
Product Overview
(3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CAS 93131-76-1), with molecular formula C18H21F9O3S and molecular weight 488.11 g/mol. IUPAC: (3,5-ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
Chemical Property Profile of (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Property Insights of (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
The XLogP value of 8.0 indicates that (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The CAS number of (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is 93131-76-1.
What is the molecular formula of (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The molecular formula of (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is C18H21F9O3S.
What is the molecular weight of (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The molecular weight of (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is 488.11 g/mol.
Where can I buy (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
You can request a quote for (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Ditert-butylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.