Barium di(toluene-4-sulphonate)
TL;DR: Barium di(toluene-4-sulphonate) (CAS 2090-08-6) is a chemical compound with molecular formula C14H14BaO6S2 and molecular weight 479.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(4-methylbenzenesulfonate)
Also Known As: Barium di(toluene-4-sulphonate), Barium toluene-P-sulfonate, barium p-toluene sulphonate, barium(2+);4-methylbenzenesulfonate, barium(2+); 4-methylbenzenesulfonate
| Molecular Formula | C14H14BaO6S2 |
|---|---|
| Molecular Weight | 479.93 g/mol |
| LogP | 1.42 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 479.92844 |
| Heavy Atoms | 23 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 2090-08-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ba+2] |
| InChIKey | JTRGEBZVNIQMHI-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barium di(toluene-4-sulphonate) (CAS 2090-08-6), with molecular formula C14H14BaO6S2 and molecular weight 479.93 g/mol. IUPAC: barium(2+);bis(4-methylbenzenesulfonate).
Chemical Property Profile of Barium di(toluene-4-sulphonate)
Property Insights of Barium di(toluene-4-sulphonate)
The XLogP value of 1.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barium di(toluene-4-sulphonate). The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barium di(toluene-4-sulphonate). Following Lipinski's Rule of Five, Barium di(toluene-4-sulphonate) 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 di(toluene-4-sulphonate)?
The CAS number of Barium di(toluene-4-sulphonate) is 2090-08-6.
What is the molecular formula of Barium di(toluene-4-sulphonate)?
The molecular formula of Barium di(toluene-4-sulphonate) is C14H14BaO6S2.
What is the molecular weight of Barium di(toluene-4-sulphonate)?
The molecular weight of Barium di(toluene-4-sulphonate) is 479.93 g/mol.
Where can I buy Barium di(toluene-4-sulphonate)?
You can request a quote for Barium di(toluene-4-sulphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium di(toluene-4-sulphonate)?
Yes, KEHONG BIO provides custom synthesis services for Barium di(toluene-4-sulphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.