TL;DR: Calcium propanearsonate (CAS 126-94-3) is a chemical compound with molecular formula C3H7AsCaO3 and molecular weight 205.9237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium dioxido-oxo-propyl-λ5-arsane
Also Known As: Calcium propanearsonate, Calcium propyl arsonate, No-Crab, Kleen-Up, calcium propylarsonate
| Molecular Formula | C3H7AsCaO3 |
| Molecular Weight | 205.9237 g/mol |
| XLogP | -1.89 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.9237 Da |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| SMILES | CCC[As](=O)([O-])[O-].[Ca+2] |
| InChIKey | BBADVFYXEMLJKM-UHFFFAOYSA-L |
The XLogP value of -1.89 indicates that Calcium propanearsonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium propanearsonate. Following Lipinski's Rule of Five, Calcium propanearsonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Calcium propanearsonate is 126-94-3.
The molecular formula of Calcium propanearsonate is C3H7AsCaO3.
The molecular weight of Calcium propanearsonate is 205.9237 g/mol.
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