TL;DR: Rosuvastatin calcium (CAS 1422515-55-6) is a chemical compound with molecular formula C44H54CaF2N6O12S2 and molecular weight 1000.2835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium bis((E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate)
Also Known As: Rosuvastatin calcium, Rosuvastatin Calcium Salt, Rosuvastatin Impurity(3R,5R), ROSUVASTATIN EP IMPURITY B, (3R,5R)-Rosuvastatin (calcium salt)
| Molecular Formula | C44H54CaF2N6O12S2 |
| Molecular Weight | 1000.2835 g/mol |
| XLogP | 1.7532 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Exact Mass | 1000.2835 Da |
| Heavy Atoms | 67 |
| Complexity | 761.0 |
| SMILES | CC(C1=NC(=NC(=C1/C=C/[C@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.CC(C1=NC(=NC(=C1/C=C/[C@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.[Ca+2] |
| InChIKey | LALFOYNTGMUKGG-UJPABJLRSA-L |
The XLogP value of 1.7532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rosuvastatin calcium. The TPSA of 304.0 Ų indicates high polarity, suggesting Rosuvastatin calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rosuvastatin calcium has 4 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Rosuvastatin calcium is 1422515-55-6.
The molecular formula of Rosuvastatin calcium is C44H54CaF2N6O12S2.
The molecular weight of Rosuvastatin calcium is 1000.2835 g/mol.
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