TL;DR: Ranelic Acid (CAS 135459-87-9) is a chemical compound with molecular formula C12H10N2O8S and molecular weight 342.01578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyanothiophene-2-carboxylic acid
Also Known As: Ranelic acid, acide ranelique, acido ranelico, Strontiumranelate, Protelos
| Molecular Formula | C12H10N2O8S |
| Molecular Weight | 342.01578 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 204.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.01578 Da |
| Heavy Atoms | 23 |
| Complexity | 555.0 |
| SMILES | C(C1=C(SC(=C1C#N)N(CC(=O)O)CC(=O)O)C(=O)O)C(=O)O |
| InChIKey | DJSXNILVACEBLP-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ranelic Acid. The TPSA of 204.0 Ų indicates high polarity, suggesting Ranelic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ranelic Acid has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ranelic Acid is 135459-87-9.
The molecular formula of Ranelic Acid is C12H10N2O8S.
The molecular weight of Ranelic Acid is 342.01578 g/mol.
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