Difetarsone
TL;DR: Difetarsone (CAS 3639-19-8) is a chemical compound with molecular formula C14H18As2N2O6 and molecular weight 459.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(4-arsonoanilino)ethylamino]phenyl]arsonic acid
Also Known As: Difetarsone, Diphetarsone, Difetarsona, Difetarsonum, Diphetarson
| Molecular Formula | C14H18As2N2O6 |
|---|---|
| Molecular Weight | 459.96 g/mol |
| LogP | -1.67 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.9597 |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 3639-19-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NCCNC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O |
| InChIKey | YQVALJGIKVYRNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Difetarsone (CAS 3639-19-8), with molecular formula C14H18As2N2O6 and molecular weight 459.96 g/mol. IUPAC: [4-[2-(4-arsonoanilino)ethylamino]phenyl]arsonic acid.
Chemical Property Profile of Difetarsone
Property Insights of Difetarsone
The XLogP value of -1.67 indicates that Difetarsone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Difetarsone. Following Lipinski's Rule of Five, Difetarsone has 6 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?
The CAS number of Difetarsone is 3639-19-8.
What is the molecular formula of Difetarsone?
The molecular formula of Difetarsone is C14H18As2N2O6.
What is the molecular weight of Difetarsone?
The molecular weight of Difetarsone is 459.96 g/mol.
Where can I buy Difetarsone?
You can request a quote for Difetarsone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difetarsone?
Yes, KEHONG BIO provides custom synthesis services for Difetarsone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.