Calcium saccharin
TL;DR: Calcium saccharin (CAS 6485-34-3) is a chemical compound with molecular formula C14H8CaN2O6S2 and molecular weight 403.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(1,1-dioxo-1,2-benzothiazol-3-olate)
Also Known As: Calcium saccharin, Saccharin calcium, Calcium saccharina, saccharin, Saccharin, calcium
| Molecular Formula | C14H8CaN2O6S2 |
|---|---|
| Molecular Weight | 403.94 g/mol |
| LogP | -1.39 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 403.94498 |
| Heavy Atoms | 25 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 6485-34-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2] |
| InChIKey | LNMAXKMUGYXKPJ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium saccharin (CAS 6485-34-3), with molecular formula C14H8CaN2O6S2 and molecular weight 403.94 g/mol. IUPAC: calcium bis(1,1-dioxo-1,2-benzothiazol-3-olate).
Chemical Property Profile of Calcium saccharin
Property Insights of Calcium saccharin
The XLogP value of -1.39 indicates that Calcium saccharin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Calcium saccharin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium saccharin 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 Calcium saccharin?
The CAS number of Calcium saccharin is 6485-34-3.
What is the molecular formula of Calcium saccharin?
The molecular formula of Calcium saccharin is C14H8CaN2O6S2.
What is the molecular weight of Calcium saccharin?
The molecular weight of Calcium saccharin is 403.94 g/mol.
Where can I buy Calcium saccharin?
You can request a quote for Calcium saccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium saccharin?
Yes, KEHONG BIO provides custom synthesis services for Calcium saccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.