TL;DR: Iganidipine (CAS 119687-33-1) is a chemical compound with molecular formula C28H38N4O6 and molecular weight 526.2791 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-O-[2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Iganidipine, Kirenidipine, Iganidipino, iganidipinum, Iganidipine [INN]
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C28H38N4O6 |
| Molecular Weight | 526.2791 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 526.2791 Da |
| Heavy Atoms | 38 |
| Complexity | 974.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN2CCN(CC2)CC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
| InChIKey | QBTSPDQKRVMTRU-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Iganidipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Iganidipine. Following Lipinski's Rule of Five, Iganidipine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Iganidipine is 119687-33-1.
The molecular formula of Iganidipine is C28H38N4O6.
The molecular weight of Iganidipine is 526.2791 g/mol.
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