TL;DR: Clodronate (CAS 10596-23-3) is a chemical compound with molecular formula CH4Cl2O6P2 and molecular weight 243.88602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[dichloro(phosphono)methyl]phosphonic acid
Also Known As: Clodronic Acid, Clodronate, (Dichloromethylene)diphosphonic acid, Clodronsaeure, Acido clodronico
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | CH4Cl2O6P2 |
| Molecular Weight | 243.88602 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.88602 Da |
| Heavy Atoms | 11 |
| Complexity | 211.0 |
| Melting Point | 250 |
| Solubility | 7.47e+00 g/L |
| SMILES | C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl |
| InChIKey | ACSIXWWBWUQEHA-UHFFFAOYSA-N |
The XLogP value of -2.1 indicates that Clodronate 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 Clodronate. Following Lipinski's Rule of Five, Clodronate 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 Clodronate is 10596-23-3.
The molecular formula of Clodronate is CH4Cl2O6P2.
The molecular weight of Clodronate is 243.88602 g/mol.
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