TL;DR: Morpholinium, 4-methyl-4-(3-(p-nitrobenzamido)propyl)-, bromide (CAS 1603-27-6) is a chemical compound with molecular formula C15H22BrN3O4 and molecular weight 387.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-4-nitrobenzamide bromide
Also Known As: Morpholinium, 4-methyl-4-(3-(p-nitrobenzamido)propyl)-, bromide, 4-Methyl-4-(3-(p-nitrobenzamido)propyl)morpholinium bromide, Morpholinium, 4-methyl-4-(3-((4-nitrobenzoyl)amino)propyl)-, bromide, 4-methyl-4-{3-[(4-nitrobenzoyl)amino]propyl}morpholin-4-iumbromide, N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-4-nitrobenzamide bromide
| Molecular Formula | C15H22BrN3O4 |
| Molecular Weight | 387.07938 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.07938 Da |
| Heavy Atoms | 23 |
| Complexity | 383.0 |
| SMILES | C[N+]1(CCOCC1)CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-] |
| InChIKey | HAQWLTLLXDDOJM-UHFFFAOYSA-N |
The XLogP value of -1.8 indicates that Morpholinium, 4-methyl-4-(3-(p-nitrobenzamido)propyl)-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Morpholinium, 4-methyl-4-(3-(p-nitrobenzamido)propyl)-, bromide. Following Lipinski's Rule of Five, Morpholinium, 4-methyl-4-(3-(p-nitrobenzamido)propyl)-, bromide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Morpholinium, 4-methyl-4-(3-(p-nitrobenzamido)propyl)-, bromide is 1603-27-6.
The molecular formula of Morpholinium, 4-methyl-4-(3-(p-nitrobenzamido)propyl)-, bromide is C15H22BrN3O4.
The molecular weight of Morpholinium, 4-methyl-4-(3-(p-nitrobenzamido)propyl)-, bromide is 387.07938 g/mol.
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