Calcium phenolsulfonate
TL;DR: Calcium phenolsulfonate (CAS 127-83-3) 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(4-hydroxybenzenesulfonate)
Also Known As: CALCIUM PHENOLSULFONATE, Calcium sulfocarbolate, Calcium bis(4-hydroxybenzenesulphonate), CALCIUM SULFOPHENOLATE, CALCIUM PHENOLSULPHONATE
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10CaO8S2 |
| Molecular Weight | 385.9443 g/mol |
| XLogP | 0.21 |
| 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 | 194.0 |
| SMILES | C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | JVEDXKIOAFPPPG-UHFFFAOYSA-L |
Chemical Property Profile of Calcium phenolsulfonate
Property Insights of Calcium phenolsulfonate
The XLogP value of 0.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium phenolsulfonate. The TPSA of 172.0 Ų indicates high polarity, suggesting Calcium phenolsulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium phenolsulfonate 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 phenolsulfonate?
The CAS number of Calcium phenolsulfonate is 127-83-3.
What is the molecular formula of Calcium phenolsulfonate?
The molecular formula of Calcium phenolsulfonate is C12H10CaO8S2.
What is the molecular weight of Calcium phenolsulfonate?
The molecular weight of Calcium phenolsulfonate is 385.9443 g/mol.
Where can I buy Calcium phenolsulfonate?
You can request a quote for Calcium phenolsulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calcium phenolsulfonate?
Yes, CoreyChem provides custom synthesis services for Calcium phenolsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.