TL;DR: Bromomethylenebis(phosphonic acid) (CAS 10596-21-1) is a chemical compound with molecular formula CH5BrO6P2 and molecular weight 253.87447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[bromo(phosphono)methyl]phosphonic acid
Also Known As: Bromomethylenebis(phosphonic acid), Bromomethylenediphosphonate, ACID, Bromomethlenediphosphonic, BROMOMETHYLENEDIPHOSPHONIC ACID
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | CH5BrO6P2 |
| Molecular Weight | 253.87447 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.87447 Da |
| Heavy Atoms | 10 |
| Complexity | 178.0 |
| SMILES | C(P(=O)(O)O)(P(=O)(O)O)Br |
| InChIKey | WKBWYLXFNPONGU-UHFFFAOYSA-N |
The XLogP value of -2.4 indicates that Bromomethylenebis(phosphonic acid) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromomethylenebis(phosphonic acid). Following Lipinski's Rule of Five, Bromomethylenebis(phosphonic acid) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bromomethylenebis(phosphonic acid) is 10596-21-1.
The molecular formula of Bromomethylenebis(phosphonic acid) is CH5BrO6P2.
The molecular weight of Bromomethylenebis(phosphonic acid) is 253.87447 g/mol.
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