Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1)
TL;DR: Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) (CAS 68299-28-5) is a chemical compound with molecular formula C7H5N2NaO7S and molecular weight 283.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-methyl-4,6-dinitrobenzenesulfonate
Also Known As: Red water liquor, Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt, sodium 2-methyl-4,6-dinitrobenzenesulfonate, Sodium methyl-2,4(or 2,6)-dinitrobenzenesulphonate, SODIUM METHYL-2,4(OR 2,6)-DINITROBENZENESULFONATE
| Molecular Formula | C7H5N2NaO7S |
|---|---|
| Molecular Weight | 283.97 g/mol |
| LogP | -2.28048 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 283.97153 |
| Heavy Atoms | 18 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 68299-28-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | LLZVTPFYGAFOHP-UHFFFAOYSA-M |
Product Overview
Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) (CAS 68299-28-5), with molecular formula C7H5N2NaO7S and molecular weight 283.97 g/mol. IUPAC: sodium 2-methyl-4,6-dinitrobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1)
Property Insights of Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1)
The XLogP value of -2.28048 indicates that Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) 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 Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1)?
The CAS number of Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) is 68299-28-5.
What is the molecular formula of Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1)?
The molecular formula of Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) is C7H5N2NaO7S.
What is the molecular weight of Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1)?
The molecular weight of Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) is 283.97 g/mol.
Where can I buy Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1)?
You can request a quote for Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, methyl-2,4(or 2,6)-dinitro-, sodium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.