TL;DR: Nitromifene (CAS 10448-84-7) is a chemical compound with molecular formula C27H28N2O4 and molecular weight 444.2049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]pyrrolidine
Also Known As: NITROMIFENE, Nitromifeno, Nitromifenum, Nitromiphene, Nitromifene [INN]
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C27H28N2O4 |
| Molecular Weight | 444.2049 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.2049 Da |
| Heavy Atoms | 33 |
| Complexity | 633.0 |
| SMILES | COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OCCN4CCCC4 |
| InChIKey | MFKMXUFMHOCZHP-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that Nitromifene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitromifene. Following Lipinski's Rule of Five, Nitromifene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Nitromifene is 10448-84-7.
The molecular formula of Nitromifene is C27H28N2O4.
The molecular weight of Nitromifene is 444.2049 g/mol.
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