Barium benzenesulfonate
TL;DR: Barium benzenesulfonate (CAS 515-72-0) is a chemical compound with molecular formula C12H10BaO6S2 and molecular weight 451.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);benzenesulfonate
Also Known As: Barium benzenesulfonate, Bariumbenzolsulfonat, barium bisbenzenesulfonate, Barium di(benzenesulphonate), Barium di(benzenesulfonate)
| Molecular Formula | C12H10BaO6S2 |
|---|---|
| Molecular Weight | 451.90 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 451.89713 |
| Heavy Atoms | 21 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 515-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Ba+2] |
| InChIKey | ZKGZWXFMFNRPKQ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barium benzenesulfonate (CAS 515-72-0), with molecular formula C12H10BaO6S2 and molecular weight 451.90 g/mol. IUPAC: barium(2+);benzenesulfonate.
Chemical Property Profile of Barium benzenesulfonate
Property Insights of Barium benzenesulfonate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barium benzenesulfonate. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barium benzenesulfonate. Following Lipinski's Rule of Five, Barium benzenesulfonate has 0 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 Barium benzenesulfonate?
The CAS number of Barium benzenesulfonate is 515-72-0.
What is the molecular formula of Barium benzenesulfonate?
The molecular formula of Barium benzenesulfonate is C12H10BaO6S2.
What is the molecular weight of Barium benzenesulfonate?
The molecular weight of Barium benzenesulfonate is 451.90 g/mol.
Where can I buy Barium benzenesulfonate?
You can request a quote for Barium benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Barium benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.