Calcium bis(hydroxybenzenesulphonate)
TL;DR: Calcium bis(hydroxybenzenesulphonate) (CAS 1300-41-0) is a chemical compound with molecular formula C12H10CaO8S2 and molecular weight 385.9443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium bis(2-hydroxybenzenesulfonate)
Also Known As: Calcium bis(hydroxybenzenesulphonate), Calciumphenolsulfonat, CALCIUM PHENOLSULFONATE, calcium;2-hydroxybenzenesulfonate, EINECS 215-085-1
Technical Specifications
| Molecular Formula | C12H10CaO8S2 |
| Molecular Weight | 385.9443 g/mol |
| XLogP | 0.2118 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 385.9443 Da |
| Heavy Atoms | 23 |
| Complexity | 202.0 |
| SMILES | C1=CC=C(C(=C1)O)S(=O)(=O)[O-].C1=CC=C(C(=C1)O)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | TUUXRMVITABOSV-UHFFFAOYSA-L |
Chemical Property Profile of Calcium bis(hydroxybenzenesulphonate)
Property Insights of Calcium bis(hydroxybenzenesulphonate)
The XLogP value of 0.2118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium bis(hydroxybenzenesulphonate). The TPSA of 172.0 Ų indicates high polarity, suggesting Calcium bis(hydroxybenzenesulphonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium bis(hydroxybenzenesulphonate) has 2 hydrogen bond donor(s) and 8 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 bis(hydroxybenzenesulphonate)?
The CAS number of Calcium bis(hydroxybenzenesulphonate) is 1300-41-0.
What is the molecular formula of Calcium bis(hydroxybenzenesulphonate)?
The molecular formula of Calcium bis(hydroxybenzenesulphonate) is C12H10CaO8S2.
What is the molecular weight of Calcium bis(hydroxybenzenesulphonate)?
The molecular weight of Calcium bis(hydroxybenzenesulphonate) is 385.9443 g/mol.
Where can I buy Calcium bis(hydroxybenzenesulphonate)?
You can request a quote for Calcium bis(hydroxybenzenesulphonate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calcium bis(hydroxybenzenesulphonate)?
Yes, CoreyChem provides custom synthesis services for Calcium bis(hydroxybenzenesulphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.