Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt
TL;DR: Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt (CAS 4515-30-4) is a chemical compound with molecular formula C6H2ClN2NaO7S and molecular weight 303.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-chloro-3,5-dinitrobenzenesulfonate
Also Known As: Aristolochic acid C, Sodium 2-chloro-3,5-dinitrobenzenesulphonate, sodium 2-chloro-3,5-dinitrobenzenesulfonate, 2,4-Dinitrochlorbenzen-6-sulfonan sodny, 2,4-Dinitrochlorbenzen-6-sulfonan sodny [Czech]
| Molecular Formula | C6H2ClN2NaO7S |
|---|---|
| Molecular Weight | 303.92 g/mol |
| LogP | -1.94 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.9169 |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 4515-30-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | VZJPOOWAEOUJAB-UHFFFAOYSA-M |
Product Overview
Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt (CAS 4515-30-4), with molecular formula C6H2ClN2NaO7S and molecular weight 303.92 g/mol. IUPAC: sodium 2-chloro-3,5-dinitrobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt
Property Insights of Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt
The XLogP value of -1.94 indicates that Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt 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, 2-chloro-3,5-dinitro-, sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt 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, 2-chloro-3,5-dinitro-, sodium salt?
The CAS number of Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt is 4515-30-4.
What is the molecular formula of Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt?
The molecular formula of Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt is C6H2ClN2NaO7S.
What is the molecular weight of Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt?
The molecular weight of Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt is 303.92 g/mol.
Where can I buy Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt?
You can request a quote for Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2-chloro-3,5-dinitro-, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.