Sodium 2-anilino-5-nitrobenzenesulphonate
TL;DR: Sodium 2-anilino-5-nitrobenzenesulphonate (CAS 3809-31-2) is a chemical compound with molecular formula C12H9N2NaO5S and molecular weight 316.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-anilino-5-nitrobenzenesulfonate
Also Known As: Sodium 2-anilino-5-nitrobenzenesulphonate, EINECS 223-280-8, NIOSH/DB5043000, 4-Nitrodifenylamin-2-sulfonan sodny, sodium 2-anilino-5-nitrobenzenesulfonate
| Molecular Formula | C12H9N2NaO5S |
|---|---|
| Molecular Weight | 316.01 g/mol |
| LogP | -0.7535 |
| Topological Polar Surface Area | 112.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.013 |
| Heavy Atoms | 21 |
| Complexity | 749.49805 |
Chemical Identifiers
| CAS Number | 3809-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+] |
Product Overview
Sodium 2-anilino-5-nitrobenzenesulphonate (CAS 3809-31-2), with molecular formula C12H9N2NaO5S and molecular weight 316.01 g/mol. IUPAC: sodium 2-anilino-5-nitrobenzenesulfonate.
Chemical Property Profile of Sodium 2-anilino-5-nitrobenzenesulphonate
Property Insights of Sodium 2-anilino-5-nitrobenzenesulphonate
The XLogP value of -0.7535 indicates that Sodium 2-anilino-5-nitrobenzenesulphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 2-anilino-5-nitrobenzenesulphonate. Following Lipinski's Rule of Five, Sodium 2-anilino-5-nitrobenzenesulphonate has 1 hydrogen bond donor(s) and 6 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-anilino-5-nitrobenzenesulphonate?
The CAS number of Sodium 2-anilino-5-nitrobenzenesulphonate is 3809-31-2.
What is the molecular formula of Sodium 2-anilino-5-nitrobenzenesulphonate?
The molecular formula of Sodium 2-anilino-5-nitrobenzenesulphonate is C12H9N2NaO5S.
What is the molecular weight of Sodium 2-anilino-5-nitrobenzenesulphonate?
The molecular weight of Sodium 2-anilino-5-nitrobenzenesulphonate is 316.01 g/mol.
Where can I buy Sodium 2-anilino-5-nitrobenzenesulphonate?
You can request a quote for Sodium 2-anilino-5-nitrobenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 2-anilino-5-nitrobenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 2-anilino-5-nitrobenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.