Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1)
TL;DR: Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) (CAS 63468-54-2) is a chemical compound with molecular formula C14H10CaO10S2 and molecular weight 441.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(5-formyl-2-hydroxybenzenesulfonate)
Also Known As: Bis calciumsalt, C7H6O5S.1/2Ca, C7-H6-O5-S.1/2Ca, calcium 5-formyl-2-hydroxybenzenesulfonate, Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1)
| Molecular Formula | C14H10CaO10S2 |
|---|---|
| Molecular Weight | 441.93 g/mol |
| LogP | -0.16 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 441.93414 |
| Heavy Atoms | 27 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 63468-54-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1C=O)S(=O)(=O)[O-])O.[Ca+2] |
| InChIKey | ZFUPEGJLKOYKFG-UHFFFAOYSA-L |
Product Overview
Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) (CAS 63468-54-2), with molecular formula C14H10CaO10S2 and molecular weight 441.93 g/mol. IUPAC: calcium bis(5-formyl-2-hydroxybenzenesulfonate).
Chemical Property Profile of Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1)
Property Insights of Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1)
The XLogP value of -0.16 indicates that Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) has 2 hydrogen bond donor(s) and 10 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 Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1)?
The CAS number of Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) is 63468-54-2.
What is the molecular formula of Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1)?
The molecular formula of Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) is C14H10CaO10S2.
What is the molecular weight of Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1)?
The molecular weight of Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) is 441.93 g/mol.
Where can I buy Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1)?
You can request a quote for Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 5-formyl-2-hydroxy-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.