TL;DR: Nemazoline Hydrochloride (CAS 111073-18-8) is a chemical compound with molecular formula C10H12Cl3N3 and molecular weight 279.00967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydrochloride
Also Known As: Nemazoline HCl, NEMAZOLINE HYDROCHLORIDE, SCH 40054 HCl, Nemazoline hydrochloride [USAN], Nemazoline hydrochloride (USAN)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H12Cl3N3 |
| Molecular Weight | 279.00967 g/mol |
| XLogP | 2.54 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.00967 Da |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
| SMILES | C1CN=C(N1)CC2=CC(=C(C(=C2)Cl)N)Cl.Cl |
| InChIKey | ASIGTNNPGBMHLP-UHFFFAOYSA-N |
The XLogP value of 2.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nemazoline Hydrochloride. With a topological polar surface area (TPSA) of 50.4 Ų, Nemazoline Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nemazoline Hydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Nemazoline Hydrochloride is 111073-18-8.
The molecular formula of Nemazoline Hydrochloride is C10H12Cl3N3.
The molecular weight of Nemazoline Hydrochloride is 279.00967 g/mol.
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