Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate
TL;DR: Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate (CAS 54495-25-9) is a chemical compound with molecular formula C7H2F3N2NaO7S and molecular weight 337.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate
Also Known As: Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate, 2,6-dinitro-4-trifluoromethylbenzenesulfonic acid sodium salt, 5343AE, sodium;2,6-dinitro-4-(trifluoromethyl)benzenesulfonate, sodium 2,6-dinitro-4-trifluoromethylbenzenesulfonate
| Molecular Formula | C7H2F3N2NaO7S |
|---|---|
| Molecular Weight | 337.94 g/mol |
| LogP | -1.5701 |
| Topological Polar Surface Area | 143.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.94324 |
| Heavy Atoms | 21 |
| Complexity | 667.65607 |
Chemical Identifiers
| CAS Number | 54495-25-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])C(F)(F)F.[Na+] |
Product Overview
Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate (CAS 54495-25-9), with molecular formula C7H2F3N2NaO7S and molecular weight 337.94 g/mol. IUPAC: sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate.
Chemical Property Profile of Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate
Property Insights of Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate
The XLogP value of -1.5701 indicates that Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.48 Ų indicates high polarity, suggesting Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate has 0 hydrogen bond donor(s) and 7 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 Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate?
The CAS number of Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate is 54495-25-9.
What is the molecular formula of Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate?
The molecular formula of Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate is C7H2F3N2NaO7S.
What is the molecular weight of Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate?
The molecular weight of Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate is 337.94 g/mol.
Where can I buy Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate?
You can request a quote for Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.