TL;DR: Amifostine Monohydrate (CAS 63717-27-1) is a chemical compound with molecular formula C5H17N2O4PS and molecular weight 232.06467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-aminopropylamino)ethylsulfanylphosphonic acid;hydrate
Also Known As: Amifostine hydrate, Amifostine monohydrate, Amifostinum, Amifostina, Ethiofos
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H17N2O4PS |
| Molecular Weight | 232.06467 g/mol |
| XLogP | -1.07 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 232.06467 Da |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
| SMILES | C(CN)CNCCSP(=O)(O)O.O |
| InChIKey | CWHOHHKTRJUFTR-UHFFFAOYSA-N |
The XLogP value of -1.07 indicates that Amifostine Monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Amifostine Monohydrate. Following Lipinski's Rule of Five, Amifostine Monohydrate has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Amifostine Monohydrate is 63717-27-1.
The molecular formula of Amifostine Monohydrate is C5H17N2O4PS.
The molecular weight of Amifostine Monohydrate is 232.06467 g/mol.
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