Calcium di(benzenesulphonate)
TL;DR: Calcium di(benzenesulphonate) (CAS 934-54-3) is a chemical compound with molecular formula C12H10CaO6S2 and molecular weight 353.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium benzenesulfonate
Also Known As: calciumdi, calcium benzenesulfonate, calcium bisbenzenesulfonate, Calcium di(benzenesulphonate), C6H6O3S.1/2Ca
| Molecular Formula | C12H10CaO6S2 |
|---|---|
| Molecular Weight | 353.95 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 | 353.95447 |
| Heavy Atoms | 21 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 934-54-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | VJOCYCQXNTWNGC-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium di(benzenesulphonate) (CAS 934-54-3), with molecular formula C12H10CaO6S2 and molecular weight 353.95 g/mol. IUPAC: calcium benzenesulfonate.
Chemical Property Profile of Calcium di(benzenesulphonate)
Property Insights of Calcium di(benzenesulphonate)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium di(benzenesulphonate). The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium di(benzenesulphonate). Following Lipinski's Rule of Five, Calcium di(benzenesulphonate) 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 Calcium di(benzenesulphonate)?
The CAS number of Calcium di(benzenesulphonate) is 934-54-3.
What is the molecular formula of Calcium di(benzenesulphonate)?
The molecular formula of Calcium di(benzenesulphonate) is C12H10CaO6S2.
What is the molecular weight of Calcium di(benzenesulphonate)?
The molecular weight of Calcium di(benzenesulphonate) is 353.95 g/mol.
Where can I buy Calcium di(benzenesulphonate)?
You can request a quote for Calcium di(benzenesulphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium di(benzenesulphonate)?
Yes, KEHONG BIO provides custom synthesis services for Calcium di(benzenesulphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.