Melarsen
TL;DR: Melarsen (CAS 5806-89-3) is a chemical compound with molecular formula C9H11AsN6O3 and molecular weight 326.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
Also Known As: Melarsen, Dupracetam, Sodium melarsen, [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid, {4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}arsonic acid
| Molecular Formula | C9H11AsN6O3 |
|---|---|
| Molecular Weight | 326.01 g/mol |
| LogP | -1.66 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.01086 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 5806-89-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As](=O)(O)O |
| InChIKey | VURSAWSSSICZRY-UHFFFAOYSA-N |
Product Overview
Melarsen (CAS 5806-89-3), with molecular formula C9H11AsN6O3 and molecular weight 326.01 g/mol. IUPAC: [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid.
Chemical Property Profile of Melarsen
Property Insights of Melarsen
The XLogP value of -1.66 indicates that Melarsen is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting Melarsen may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Melarsen has 5 hydrogen bond donor(s) and 9 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 Melarsen?
The CAS number of Melarsen is 5806-89-3.
What is the molecular formula of Melarsen?
The molecular formula of Melarsen is C9H11AsN6O3.
What is the molecular weight of Melarsen?
The molecular weight of Melarsen is 326.01 g/mol.
Where can I buy Melarsen?
You can request a quote for Melarsen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Melarsen?
Yes, KEHONG BIO provides custom synthesis services for Melarsen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.