TL;DR: Atorvastatin EP Impurity B (CAS 134523-00-5) is a chemical compound with molecular formula C33H35FN2O5 and molecular weight 558.253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Also Known As: atorvastatin, Sotis, Atorvastatin acid, Lipitor, ent-Atorvastatin
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C33H35FN2O5 |
| Molecular Weight | 558.253 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 558.253 Da |
| Heavy Atoms | 41 |
| Complexity | 822.0 |
| SMILES | CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 |
| InChIKey | XUKUURHRXDUEBC-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that Atorvastatin EP Impurity B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Atorvastatin EP Impurity B. Following Lipinski's Rule of Five, Atorvastatin EP Impurity B has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Atorvastatin EP Impurity B is 134523-00-5.
The molecular formula of Atorvastatin EP Impurity B is C33H35FN2O5.
The molecular weight of Atorvastatin EP Impurity B is 558.253 g/mol.
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