Melarsomine Dihydrochloride
TL;DR: Melarsomine Dihydrochloride (CAS 89141-50-4) is a chemical compound with molecular formula C13H23AsCl2N8S2 and molecular weight 500.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-[4-[bis(2-aminoethylsulfanyl)arsanyl]phenyl]-1,3,5-triazine-2,4,6-triamine;dihydrochloride
Also Known As: Cymelarsan, Melarsomine dihydrochloride, Immiticide, melCy, Cymelarsen
| Molecular Formula | C13H23AsCl2N8S2 |
|---|---|
| Molecular Weight | 500.01 g/mol |
| LogP | 0.7022 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.008 |
| Heavy Atoms | 26 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 89141-50-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As](SCCN)SCCN.Cl.Cl |
| InChIKey | WMZUMAJTJUZEKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Melarsomine Dihydrochloride (CAS 89141-50-4), with molecular formula C13H23AsCl2N8S2 and molecular weight 500.01 g/mol. IUPAC: 2-N-[4-[bis(2-aminoethylsulfanyl)arsanyl]phenyl]-1,3,5-triazine-2,4,6-triamine;dihydrochloride.
Chemical Property Profile of Melarsomine Dihydrochloride
Property Insights of Melarsomine Dihydrochloride
The XLogP value of 0.7022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Melarsomine Dihydrochloride. The TPSA of 205.0 Ų indicates high polarity, suggesting Melarsomine Dihydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Melarsomine Dihydrochloride has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Melarsomine Dihydrochloride?
The CAS number of Melarsomine Dihydrochloride is 89141-50-4.
What is the molecular formula of Melarsomine Dihydrochloride?
The molecular formula of Melarsomine Dihydrochloride is C13H23AsCl2N8S2.
What is the molecular weight of Melarsomine Dihydrochloride?
The molecular weight of Melarsomine Dihydrochloride is 500.01 g/mol.
Where can I buy Melarsomine Dihydrochloride?
You can request a quote for Melarsomine Dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Melarsomine Dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Melarsomine Dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.