Calcium phenolsulfonate
TL;DR: Calcium phenolsulfonate (CAS 127-83-3) is a chemical compound with molecular formula C12H10CaO8S2 and molecular weight 385.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-hydroxybenzenesulfonate)
Also Known As: CALCIUM PHENOLSULFONATE, Calcium sulfocarbolate, Calcium bis(4-hydroxybenzenesulphonate), CALCIUM SULFOPHENOLATE, CALCIUM PHENOLSULPHONATE
| Molecular Formula | C12H10CaO8S2 |
|---|---|
| Molecular Weight | 385.94 g/mol |
| LogP | 0.21 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 385.9443 |
| Heavy Atoms | 23 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 127-83-3 |
|---|---|
| SMILES | C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | JVEDXKIOAFPPPG-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium phenolsulfonate (CAS 127-83-3), with molecular formula C12H10CaO8S2 and molecular weight 385.94 g/mol. IUPAC: calcium bis(4-hydroxybenzenesulfonate).
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
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 385.94 g/mol.
Where can I buy Calcium phenolsulfonate?
You can request a quote for Calcium phenolsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium phenolsulfonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium phenolsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.