Calcium saccharin hydrate
TL;DR: Calcium saccharin hydrate (CAS 6381-91-5) is a chemical compound with molecular formula C14H10CaN2O7S2 and molecular weight 421.96 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);hydrate
Also Known As: Calcium saccharin hydrate, Saccharin calcium, Saccharin hemicalcium salt, Saccharin calcium [USAN], SACCHARIN CALCIUM HYDRATE
| Molecular Formula | C14H10CaN2O7S2 |
|---|---|
| Molecular Weight | 421.96 g/mol |
| LogP | -2.21 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 421.95554 |
| Heavy Atoms | 26 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 6381-91-5 |
|---|---|
| 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 Overview
Calcium saccharin hydrate (CAS 6381-91-5), with molecular formula C14H10CaN2O7S2 and molecular weight 421.96 g/mol. IUPAC: calcium;bis(1,1-dioxo-1,2-benzothiazol-3-olate);hydrate.
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
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 421.96 g/mol.
Where can I buy Calcium saccharin hydrate?
You can request a quote for Calcium saccharin hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium saccharin hydrate?
Yes, KEHONG BIO provides custom synthesis services for Calcium saccharin hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.