Sodium Stibocaptate
TL;DR: Sodium Stibocaptate (CAS 3064-61-7) is a chemical compound with molecular formula C12H6Na6O12S6Sb2 and molecular weight 913.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;2-[1,2-dicarboxylato-2-[(4,5-dicarboxylato-1,3,2-dithiastibolan-2-yl)sulfanyl]ethyl]sulfanyl-1,3,2-dithiastibolane-4,5-dicarboxylate
Also Known As: Astiban, Sodium stibocaptate, TWSb, Natrii stibocaptas, Twsb/6
| Molecular Formula | C12H6Na6O12S6Sb2 |
|---|---|
| Molecular Weight | 913.56 g/mol |
| LogP | -25.88 |
| Topological Polar Surface Area | 393.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 5 |
| Exact Mass | 915.565 |
| Heavy Atoms | 38 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 3064-61-7 |
|---|---|
| SMILES | C1(C(S[Sb](S1)SC(C(C(=O)[O-])S[Sb]2SC(C(S2)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | AOGOCZMBIYQOFE-UHFFFAOYSA-B |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium Stibocaptate (CAS 3064-61-7), with molecular formula C12H6Na6O12S6Sb2 and molecular weight 913.56 g/mol. IUPAC: hexasodium;2-[1,2-dicarboxylato-2-[(4,5-dicarboxylato-1,3,2-dithiastibolan-2-yl)sulfanyl]ethyl]sulfanyl-1,3,2-dithiastibolane-4,5-dicarboxylate.
Chemical Property Profile of Sodium Stibocaptate
Property Insights of Sodium Stibocaptate
The XLogP value of -25.88 indicates that Sodium Stibocaptate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 393.0 Ų indicates high polarity, suggesting Sodium Stibocaptate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium Stibocaptate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sodium Stibocaptate?
The CAS number of Sodium Stibocaptate is 3064-61-7.
What is the molecular formula of Sodium Stibocaptate?
The molecular formula of Sodium Stibocaptate is C12H6Na6O12S6Sb2.
What is the molecular weight of Sodium Stibocaptate?
The molecular weight of Sodium Stibocaptate is 913.56 g/mol.
Where can I buy Sodium Stibocaptate?
You can request a quote for Sodium Stibocaptate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium Stibocaptate?
Yes, KEHONG BIO provides custom synthesis services for Sodium Stibocaptate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.