Calcium;2-ethenylbenzenesulfonate
TL;DR: Calcium;2-ethenylbenzenesulfonate (CAS 39302-29-9) is a chemical compound with molecular formula C8H7CaO3S+ and molecular weight 222.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-ethenylbenzenesulfonate
Also Known As: Kalimate, Calcium polystyrene sulfonate, Calciumpolystyrenesulphonate, KMP-Ca, C8H7CaO3S+
| Molecular Formula | C8H7CaO3S+ |
|---|---|
| Molecular Weight | 222.97 g/mol |
| LogP | 0.8529 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.97418 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 39302-29-9 |
|---|---|
| SMILES | C=CC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2] |
| InChIKey | IJBYVKWTVVYTPL-UHFFFAOYSA-M |
Product Overview
Calcium;2-ethenylbenzenesulfonate (CAS 39302-29-9), with molecular formula C8H7CaO3S+ and molecular weight 222.97 g/mol. IUPAC: calcium 2-ethenylbenzenesulfonate.
Chemical Property Profile of Calcium;2-ethenylbenzenesulfonate
Property Insights of Calcium;2-ethenylbenzenesulfonate
The XLogP value of 0.8529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium;2-ethenylbenzenesulfonate. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium;2-ethenylbenzenesulfonate. Following Lipinski's Rule of Five, Calcium;2-ethenylbenzenesulfonate has 0 hydrogen bond donor(s) and 3 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;2-ethenylbenzenesulfonate?
The CAS number of Calcium;2-ethenylbenzenesulfonate is 39302-29-9.
What is the molecular formula of Calcium;2-ethenylbenzenesulfonate?
The molecular formula of Calcium;2-ethenylbenzenesulfonate is C8H7CaO3S+.
What is the molecular weight of Calcium;2-ethenylbenzenesulfonate?
The molecular weight of Calcium;2-ethenylbenzenesulfonate is 222.97 g/mol.
Where can I buy Calcium;2-ethenylbenzenesulfonate?
You can request a quote for Calcium;2-ethenylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium;2-ethenylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium;2-ethenylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.