Difetarsone sodium anhydrous
TL;DR: Difetarsone sodium anhydrous (CAS 515-76-4) is a chemical compound with molecular formula C14H16As2N2Na2O6 and molecular weight 503.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;hydroxy-[4-[2-[4-[hydroxy(oxido)arsoryl]anilino]ethylamino]phenyl]arsinate
Also Known As: Diphetarsone, amebarsin, Bemarsal, Difetarsone disodium, Difetarsone sodium
| Molecular Formula | C14H16As2N2Na2O6 |
|---|---|
| Molecular Weight | 503.92 g/mol |
| LogP | -8.92 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.92355 |
| Heavy Atoms | 26 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 515-76-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NCCNC2=CC=C(C=C2)[As](=O)(O)[O-])[As](=O)(O)[O-].[Na+].[Na+] |
| InChIKey | WJQJTJQDBFMBJM-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Difetarsone sodium anhydrous (CAS 515-76-4), with molecular formula C14H16As2N2Na2O6 and molecular weight 503.92 g/mol. IUPAC: disodium;hydroxy-[4-[2-[4-[hydroxy(oxido)arsoryl]anilino]ethylamino]phenyl]arsinate.
Chemical Property Profile of Difetarsone sodium anhydrous
Property Insights of Difetarsone sodium anhydrous
The XLogP value of -8.92 indicates that Difetarsone sodium anhydrous is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting Difetarsone sodium anhydrous may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Difetarsone sodium anhydrous has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Difetarsone sodium anhydrous?
The CAS number of Difetarsone sodium anhydrous is 515-76-4.
What is the molecular formula of Difetarsone sodium anhydrous?
The molecular formula of Difetarsone sodium anhydrous is C14H16As2N2Na2O6.
What is the molecular weight of Difetarsone sodium anhydrous?
The molecular weight of Difetarsone sodium anhydrous is 503.92 g/mol.
Where can I buy Difetarsone sodium anhydrous?
You can request a quote for Difetarsone sodium anhydrous directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difetarsone sodium anhydrous?
Yes, KEHONG BIO provides custom synthesis services for Difetarsone sodium anhydrous and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.