Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate
TL;DR: Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate (CAS 478250-32-7) is a chemical compound with molecular formula C14H9N2O9S- and molecular weight 381.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate
Also Known As: 2-[(3,5-dicarboxyphenyl)amino]-5-nitrobenzenesulfonate, 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate, 2-[(3,5-dicarboxyphenyl)amino]-5-nitro-benzenesulfonate, sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate, 632-306-0
| Molecular Formula | C14H9N2O9S- |
|---|---|
| Molecular Weight | 381.00 g/mol |
| LogP | 1.6389 |
| Topological Polar Surface Area | 186.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.00287 |
| Heavy Atoms | 26 |
| Complexity | 998.4581 |
Chemical Identifiers
| CAS Number | 478250-32-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
Product Overview
Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate (CAS 478250-32-7), with molecular formula C14H9N2O9S- and molecular weight 381.00 g/mol. IUPAC: 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate.
Chemical Property Profile of Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate
Property Insights of Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate
The XLogP value of 1.6389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate. The TPSA of 186.97 Ų indicates high polarity, suggesting Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate has 3 hydrogen bond donor(s) and 8 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-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate?
The CAS number of Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate is 478250-32-7.
What is the molecular formula of Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate?
The molecular formula of Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate is C14H9N2O9S-.
What is the molecular weight of Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate?
The molecular weight of Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate is 381.00 g/mol.
Where can I buy Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate?
You can request a quote for Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.