Tiron monohydrate
TL;DR: Tiron monohydrate (CAS 270573-71-2) is a chemical compound with molecular formula C6H6Na2O9S2 and molecular weight 331.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4,5-dihydroxybenzene-1,3-disulfonate;hydrate
Also Known As: Tiron monohydrate, TIRON, Tiferron, Sodium 4,5-dihydroxybenzene-1,3-disulfonate hydrate, Sodium catechol sulfate
| Molecular Formula | C6H6Na2O9S2 |
|---|---|
| Molecular Weight | 331.92 g/mol |
| LogP | -7.9107 |
| Topological Polar Surface Area | 186.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.92487 |
| Heavy Atoms | 19 |
| Complexity | 636.9188 |
Chemical Identifiers
| CAS Number | 270573-71-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+] |
Product Overview
Tiron monohydrate (CAS 270573-71-2), with molecular formula C6H6Na2O9S2 and molecular weight 331.92 g/mol. IUPAC: disodium;4,5-dihydroxybenzene-1,3-disulfonate;hydrate.
Chemical Property Profile of Tiron monohydrate
Property Insights of Tiron monohydrate
The XLogP value of -7.9107 indicates that Tiron monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.36 Ų indicates high polarity, suggesting Tiron monohydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tiron monohydrate 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 Tiron monohydrate?
The CAS number of Tiron monohydrate is 270573-71-2.
What is the molecular formula of Tiron monohydrate?
The molecular formula of Tiron monohydrate is C6H6Na2O9S2.
What is the molecular weight of Tiron monohydrate?
The molecular weight of Tiron monohydrate is 331.92 g/mol.
Where can I buy Tiron monohydrate?
You can request a quote for Tiron monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiron monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Tiron monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.