TL;DR: Palonidipine Hydrochloride (CAS 96515-74-1) is a chemical compound with molecular formula C29H35ClFN3O6 and molecular weight 575.21985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-O-[3-[benzyl(methyl)amino]-2,2-dimethylpropyl] 3-O-methyl 4-(2-fluoro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: Palonidipine hydrochloride, Palonidipine.HCl, Palonidipine HCl, Palonidipine, TC 81
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C29H35ClFN3O6 |
| Molecular Weight | 575.21985 g/mol |
| XLogP | 5.26 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 575.21985 Da |
| Heavy Atoms | 40 |
| Complexity | 982.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl |
| InChIKey | OQHXRVQARZHYGQ-UHFFFAOYSA-N |
The XLogP value of 5.26 indicates that Palonidipine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Palonidipine Hydrochloride. Following Lipinski's Rule of Five, Palonidipine Hydrochloride has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Palonidipine Hydrochloride is 96515-74-1.
The molecular formula of Palonidipine Hydrochloride is C29H35ClFN3O6.
The molecular weight of Palonidipine Hydrochloride is 575.21985 g/mol.
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