TL;DR: (((2-Hydroxyethyl)imino)dimethylene)diphosphonic acid (CAS 5995-42-6) is a chemical compound with molecular formula C4H13NO7P2 and molecular weight 249.01672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-hydroxyethyl(phosphonomethyl)amino]methylphosphonic acid
Also Known As: Wayplex 61A, N- IMINOBIS, [[ imino]bis ]bisphosphonicacid, 2-Hydroxyethylbis(phosphonomethyl)amine, Ethanolaminedi(methylenephosphonic acid)
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H13NO7P2 |
| Molecular Weight | 249.01672 g/mol |
| XLogP | -6.2 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.01672 Da |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
| SMILES | C(CO)N(CP(=O)(O)O)CP(=O)(O)O |
| InChIKey | YAWYUSRBDMEKHZ-UHFFFAOYSA-N |
The XLogP value of -6.2 indicates that (((2-Hydroxyethyl)imino)dimethylene)diphosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (((2-Hydroxyethyl)imino)dimethylene)diphosphonic acid. Following Lipinski's Rule of Five, (((2-Hydroxyethyl)imino)dimethylene)diphosphonic acid has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (((2-Hydroxyethyl)imino)dimethylene)diphosphonic acid is 5995-42-6.
The molecular formula of (((2-Hydroxyethyl)imino)dimethylene)diphosphonic acid is C4H13NO7P2.
The molecular weight of (((2-Hydroxyethyl)imino)dimethylene)diphosphonic acid is 249.01672 g/mol.
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