2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1)
TL;DR: 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1) (CAS 55482-31-0) is a chemical compound with molecular formula C10H4BaN2O8S and molecular weight 449.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);5,7-dinitro-8-oxidonaphthalene-2-sulfonate
Also Known As: 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1), Barium 8-hydroxy-5,7-dinitronaphthalene-2-sulphonate (1:1), Barium 5,7-dinitro-8-oxidonaphthalene-2-sulfonate, barium(2+); 5,7-dinitro-8-oxidonaphthalene-2-sulfonate, Barium 8-hydroxy-5,7-dinitronaphthalene-2-sulfonate (1:1)
| Molecular Formula | C10H4BaN2O8S |
|---|---|
| Molecular Weight | 449.87 g/mol |
| LogP | 0.25 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 449.87408 |
| Heavy Atoms | 22 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 55482-31-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[O-].[Ba+2] |
| InChIKey | PDVPNFDBPRYEOP-UHFFFAOYSA-L |
Product Overview
2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1) (CAS 55482-31-0), with molecular formula C10H4BaN2O8S and molecular weight 449.87 g/mol. IUPAC: barium(2+);5,7-dinitro-8-oxidonaphthalene-2-sulfonate.
Chemical Property Profile of 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1)
Property Insights of 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1)
The XLogP value of 0.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1). The TPSA of 180.0 Ų indicates high polarity, suggesting 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1) has 0 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 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1)?
The CAS number of 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1) is 55482-31-0.
What is the molecular formula of 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1)?
The molecular formula of 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1) is C10H4BaN2O8S.
What is the molecular weight of 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1)?
The molecular weight of 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1) is 449.87 g/mol.
Where can I buy 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1)?
You can request a quote for 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium 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 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, barium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.