TL;DR: Melarsomine (CAS 128470-15-5) is a chemical compound with molecular formula C13H21AsN8S2 and molecular weight 428.05466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-N-[4-[bis(2-aminoethylsulfanyl)arsanyl]phenyl]-1,3,5-triazine-2,4,6-triamine
Also Known As: Melarsomine, Melarsomina, Melarsominum, Cymelarsan, Cymelarsen
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H21AsN8S2 |
| Molecular Weight | 428.05466 g/mol |
| XLogP | -0.14 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.05466 Da |
| Heavy Atoms | 24 |
| Complexity | 330.0 |
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As](SCCN)SCCN |
| InChIKey | MGEOLZFMLHYCFZ-UHFFFAOYSA-N |
The XLogP value of -0.14 indicates that Melarsomine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting Melarsomine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Melarsomine has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Melarsomine is 128470-15-5.
The molecular formula of Melarsomine is C13H21AsN8S2.
The molecular weight of Melarsomine is 428.05466 g/mol.
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