Stibocaptate
TL;DR: Stibocaptate (CAS 1986-66-9) is a chemical compound with molecular formula C12H12O12S6Sb2 and molecular weight 781.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,2-dicarboxy-2-[(4,5-dicarboxy-1,3,2-dithiastibolan-2-yl)sulfanyl]ethyl]sulfanyl-1,3,2-dithiastibolane-4,5-dicarboxylic acid
Also Known As: Stibocaptate, Sodium stibocaptate, ASTIBAN ACID, Antimony dimercaptosuccinate, 2,3-dimercaptosuccinic acid-cyclic-thioantimonate
| Molecular Formula | C12H12O12S6Sb2 |
|---|---|
| Molecular Weight | 781.67 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 376.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 783.67334 |
| Heavy Atoms | 32 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 1986-66-9 |
|---|---|
| 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 |
| InChIKey | WRIDGMJGKDWAJY-UHFFFAOYSA-H |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Stibocaptate (CAS 1986-66-9), with molecular formula C12H12O12S6Sb2 and molecular weight 781.67 g/mol. IUPAC: 2-[1,2-dicarboxy-2-[(4,5-dicarboxy-1,3,2-dithiastibolan-2-yl)sulfanyl]ethyl]sulfanyl-1,3,2-dithiastibolane-4,5-dicarboxylic acid.
Chemical Property Profile of Stibocaptate
Property Insights of Stibocaptate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stibocaptate. The TPSA of 376.0 Ų indicates high polarity, suggesting Stibocaptate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Stibocaptate has 6 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 Stibocaptate?
The CAS number of Stibocaptate is 1986-66-9.
What is the molecular formula of Stibocaptate?
The molecular formula of Stibocaptate is C12H12O12S6Sb2.
What is the molecular weight of Stibocaptate?
The molecular weight of Stibocaptate is 781.67 g/mol.
Where can I buy Stibocaptate?
You can request a quote for Stibocaptate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stibocaptate?
Yes, KEHONG BIO provides custom synthesis services for Stibocaptate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.