TL;DR: [(Cyclopropylamino)-phosphonomethyl]phosphonic acid (CAS 124737-31-1) is a chemical compound with molecular formula C4H11NO6P2 and molecular weight 231.00616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(cyclopropylamino)-phosphonomethyl]phosphonic acid
Also Known As: KST-1A0944, [(cyclopropylamino)-phosphonomethyl]phosphonic acid, [(cyclopropylamino)methanediyl]bis(phosphonic acid), (Cyclopropylamino)Methylenediphosphonic Acid, (cyclopropylamino)methylenebis(phosphonic acid)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H11NO6P2 |
| Molecular Weight | 231.00616 g/mol |
| XLogP | -5.3 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.00616 Da |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
| SMILES | C1CC1NC(P(=O)(O)O)P(=O)(O)O |
| InChIKey | UGPXWDIZFKGVEG-UHFFFAOYSA-N |
The XLogP value of -5.3 indicates that [(Cyclopropylamino)-phosphonomethyl]phosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Cyclopropylamino)-phosphonomethyl]phosphonic acid. Following Lipinski's Rule of Five, [(Cyclopropylamino)-phosphonomethyl]phosphonic acid 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 [(Cyclopropylamino)-phosphonomethyl]phosphonic acid is 124737-31-1.
The molecular formula of [(Cyclopropylamino)-phosphonomethyl]phosphonic acid is C4H11NO6P2.
The molecular weight of [(Cyclopropylamino)-phosphonomethyl]phosphonic acid is 231.00616 g/mol.
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