Bithionolate Sodium
TL;DR: Bithionolate Sodium (CAS 6385-58-6) is a chemical compound with molecular formula C12H4Cl4Na2O2S and molecular weight 397.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate
Also Known As: bithionolate sodium, Sodium bithionolate, Vancide BN, Natrii bithionolas, Sodium bitionolate
| Molecular Formula | C12H4Cl4Na2O2S |
|---|---|
| Molecular Weight | 397.85 g/mol |
| LogP | -1.39 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.8452 |
| Heavy Atoms | 21 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 6385-58-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)[O-])[O-])Cl)Cl.[Na+].[Na+] |
| InChIKey | FNYZFZRGBBCWBI-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bithionolate Sodium (CAS 6385-58-6), with molecular formula C12H4Cl4Na2O2S and molecular weight 397.85 g/mol. IUPAC: disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate.
Chemical Property Profile of Bithionolate Sodium
Property Insights of Bithionolate Sodium
The XLogP value of -1.39 indicates that Bithionolate Sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bithionolate Sodium. Following Lipinski's Rule of Five, Bithionolate Sodium 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 Bithionolate Sodium?
The CAS number of Bithionolate Sodium is 6385-58-6.
What is the molecular formula of Bithionolate Sodium?
The molecular formula of Bithionolate Sodium is C12H4Cl4Na2O2S.
What is the molecular weight of Bithionolate Sodium?
The molecular weight of Bithionolate Sodium is 397.85 g/mol.
Where can I buy Bithionolate Sodium?
You can request a quote for Bithionolate Sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bithionolate Sodium?
Yes, KEHONG BIO provides custom synthesis services for Bithionolate Sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.