Calcium saccharin hydrate
TL;DR: Calcium saccharin hydrate (CAS 6381-91-5) is a chemical compound with molecular formula C14H10CaN2O7S2 and molecular weight 421.95554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium;bis(1,1-dioxo-1,2-benzothiazol-3-olate);hydrate
Also Known As: Calcium saccharin hydrate, Saccharin calcium, Saccharin hemicalcium salt, Saccharin calcium [USAN], SACCHARIN CALCIUM HYDRATE
Technical Specifications
| Molecular Formula | C14H10CaN2O7S2 |
| Molecular Weight | 421.95554 g/mol |
| XLogP | -2.21 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 421.95554 Da |
| Heavy Atoms | 26 |
| Complexity | 314.0 |
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].O.[Ca+2] |
| InChIKey | MQRKKLAGBPVXCD-UHFFFAOYSA-L |
Product Description
Applications: Calcium saccharin hydrate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Calcium saccharin hydrate (CAS 6381-91-5) is a fine chemical with the molecular formula C14H10CaN2O7S2 and a molecular weight of 421.96 g/mol. Synonyms include Calcium saccharin hydrate and Saccharin calcium.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Calcium saccharin hydrate
Property Insights of Calcium saccharin hydrate
The XLogP value of -2.21 indicates that Calcium saccharin hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Calcium saccharin hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium saccharin hydrate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Calcium saccharin hydrate?
The CAS number of Calcium saccharin hydrate is 6381-91-5.
What is the molecular formula of Calcium saccharin hydrate?
The molecular formula of Calcium saccharin hydrate is C14H10CaN2O7S2.
What is the molecular weight of Calcium saccharin hydrate?
The molecular weight of Calcium saccharin hydrate is 421.95554 g/mol.
What are the applications of Calcium saccharin hydrate?
Calcium saccharin hydrate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC,...
Where can I buy Calcium saccharin hydrate?
You can request a quote for Calcium saccharin hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calcium saccharin hydrate?
Yes, CoreyChem provides custom synthesis services for Calcium saccharin hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.